EYB
概要
表記: | [9-ethyl-7-(1,2-oxazol-4-yl)carbazol-3-yl]methyl-methyl-azanium |
組成式: | C19 H20 N3 O |
電荷: | 1 |
化学式量: | 306.382 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-(1,2-oxazol-4-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/C19H19N3O/c1-3-22-18-7-4-13(10-20-2)8-17(18)16-6-5-14(9-19(16)22)15-11-21-23-12-15/h4-9,11-12,20H,3,10H2,1-2H3/p+1 |
InChIKey | InChI | 1.03 | VHUKHTBOFRYGOK-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4 |
SMILES | CACTVS | 3.385 | CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4conc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C |