| Properties | Image |
|---|
| MNX_ID | MNXM120003 |
 |
| reference | chebi:51901 |
| formula | C31H37IN2 |
| global charge | 0 |
| mol weight | 564.555 |
| InChIKey | MOCQTYXDGSDJGM-UHFFFAOYSA-M |
| InChI | InChI=1S/C31H37N2.HI/c1-7-32-26-20-16-14-18-24(26)30(3,4)28(32)22-12-10-9-11-13-23-29-31(5,6)25-19-15-17-21-27(25)33(29)8-2;/h9-23H,7-8H2,1-6H3;1H/q+1;/p-1 |
| SMILES | CCN1C(=CC=CC=CC=CC2=[N+](CC)C3=C(C=CC=C3)C2(C)C)C(C)(C)C2=C1C=CC=C2.[I-] |
MNX internals
| InChI (mnx) | InChI=1/C31H37N2.HI/c1-7-32-26-20-16-14-18-24(26)30(3,4)28(32)22-12-10-9-11-13-23-29-31(5,6)25-19-15-17-21-27(25)33(29)8-2;/h9-23H,7-8H2,1-6H3;1H/q+1; |
 |
| SMILES (mnx) | [CH3:1][CH2:7][N+:32]1=[C:28]([CH:22]=[CH:12][CH:10]=[CH:9][CH:11]=[CH:13][CH:23]=[C:29]2[C:31]([CH3:5])([CH3:6])[C:25]3=[CH:19][CH:15]=[CH:17][CH:21]=[C:27]3[N:33]2[CH2:8][CH3:2])[C:30]([CH3:3])([CH3:4])[C:24]2=[CH:18][CH:14]=[CH:16][CH:20]=[C:26]21.[IH:34] |
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