Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
SMILES | CACTVS | 3.341 | CC[N+](C)(CC)CCC[n+]1c2cc(N)ccc2c3ccc(N)cc3c1c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N |
InChI | InChI | 1.03 | InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 |
InChIKey | InChI | 1.03 | ZDWVWKDAWBGPDN-UHFFFAOYSA-O |