Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N |
SMILES_CANONICAL | CACTVS | 3.341 | CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
SMILES | CACTVS | 3.341 | CC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
InChI | InChI | 1.03 | InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1 |
InChIKey | InChI | 1.03 | QTANTQQOYSUMLC-UHFFFAOYSA-O |