Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c12ccccc1c(cc([n+]2CCCCCCCCCC[n+]4c3ccccc3c(N)cc4C)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34 |
SMILES | CACTVS | 3.341 | Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N |
InChI | InChI | 1.03 | InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2 |
InChIKey | InChI | 1.03 | PCSWXVJAIHCTMO-UHFFFAOYSA-P |