EY2
概要
| 表記: | (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium |
| 組成式: | C16 H18 Br N2 |
| 電荷: | 1 |
| 化学式量: | 318.232 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 | (7-bromanyl-9-ethyl-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/C16H17BrN2/c1-3-19-15-7-4-11(10-18-2)8-14(15)13-6-5-12(17)9-16(13)19/h4-9,18H,3,10H2,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | DQOAWXHGKIOTNR-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13 |
| SMILES | CACTVS | 3.385 | CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C |
