| Properties | Image |
| MNX_ID | MNXM160535 |
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| reference | chebi:51240 |
| formula | C27H34I2N4 |
| global charge | 0 |
| mol weight | 668.405 |
| InChIKey | XJMOSONTPMZWPB-UHFFFAOYSA-M |
| InChI | InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1 |
| SMILES | CC[N+](C)(CC)CCC[N+]1=C2C=C(N)C=CC2=C2C=CC(N)=CC2=C1C1=CC=CC=C1.[I-].[I-] |
MNX internals
| InChI (mnx) | InChI=1/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/b29-22?;; |
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| SMILES (mnx) | [CH3:1][CH2:4][N+:31]([CH3:3])([CH2:5][CH3:2])[CH2:17][CH2:9][CH2:16][N:30]1[C:26]2=[CH:19][C:22](=[NH:29])[CH:13]=[CH:15][C:24]2=[C:23]2[CH:14]=[CH:12][C:21]([NH2:28])=[CH:18][C:25]2=[C:27]1[C:20]1=[CH:10][CH:7]=[CH:6][CH:8]=[CH:11]1.[IH:32].[IH:33] |
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