EXQ
概要
| 表記: | [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium |
| 組成式: | C21 H23 N2 S |
| 電荷: | 1 |
| 化学式量: | 335.486 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.6 | [9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H22N2S/c1-4-23-19-8-5-15(12-22-3)10-18(19)17-7-6-16(11-20(17)23)21-9-14(2)13-24-21/h5-11,13,22H,4,12H2,1-3H3/p+1 |
| InChIKey | InChI | 1.03 | JGJSOWKZKLYSTB-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4scc(C)c4 |
| SMILES | CACTVS | 3.385 | CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4scc(C)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C |
