Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H21ClN2/c1-3-11-6-12-8-13(7-11)18-17(9-12)22(2)16-10-14(20)4-5-15(16)19(18)21/h4-6,10,12-13,21H,3,7-9H2,1-2H3/p+1/t12-,13+/m0/s1 |
InChIKey | InChI | 1.03 | UDYIKCNLONGUCX-QWHCGFSZSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C[C@H]2C[C@@H](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2 |
SMILES | CACTVS | 3.385 | CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC1=CC2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)C(C2)C1 |