Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C26H25N3/c1-2-3-4-5-9-16-29-25-18-21(28)13-15-23(25)22-14-12-20(27)17-24(22)26(29)19-10-7-6-8-11-19/h1,6-8,10-15,17-18,28H,3-5,9,16,27H2/p+1 |
InChIKey | InChI | 1.03 | WJXZOVZRCNSPKF-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1 |
SMILES | CACTVS | 3.385 | Nc1ccc2c3ccc(N)cc3[n+](CCCCCC#C)c(c4ccccc4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
SMILES | OpenEye OEToolkits | 2.0.4 | C#CCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |