種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C30H36N4O2/c1-31(2)27-13-17-33(18-14-27)23-25-5-9-29(10-6-25)35-21-22-36-30-11-7-26(8-12-30)24-34-19-15-28(16-20-34)32(3)4/h5-20H,21-24H2,1-4H3/q+2 |
InChIKey | InChI | 1.03 | SBSYTSUJNSFXCL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1 |
SMILES | CACTVS | 3.385 | CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc(cc4)N(C)C)cc3)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C |