| Properties | Image |
|---|
| MNX_ID | MNXM1100766 |
 |
| reference | seedM:cpd34468 |
| formula | C26H32ClN2 |
| global charge | 1 |
| mol weight | 408.009 |
| InChIKey | QACSNMSVVIWJHQ-UMIISBCRSA-N |
| InChI | InChI=1S/C26H32ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h8-13,16,18,20,23,29H,1-2,14H2,3-7H3/q+1/t16-,18+,20-,23+,26-/m0/s1 |
| SMILES | C#[N+][C@@H]1[C@@H]2C3=C(C(C)(C)C=C)NC4=CC=CC(=C43)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C |
MNX internals
| InChI (mnx) | InChI=1/C26H32ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h8-13,16,18,20,23,29H,1-2,14H2,3-7H3/q+1/t16-,18+,20-,23+,26-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:9][C:24]([CH3:3])([CH3:4])[C:22]1=[C:21]2[C:19]3=[C:15]([CH:12]=[CH:11][CH:13]=[C:17]3[NH:29]1)[C:25]([CH3:5])([CH3:6])[C@H:16]1[CH2:14][C@@H:18]([Cl:27])[C@:26]([CH3:7])([CH:10]=[CH2:2])[C@H:23]([N+:28]#[CH:8])[C@@H:20]12 |
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