RKN
概要
表記: | (3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium |
組成式: | C14 H15 Cl N |
電荷: | 1 |
化学式量: | 232.729 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 | (3-chloranyl-4-phenyl-phenyl)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/C14H14ClN/c1-16-10-11-7-8-13(14(15)9-11)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3/p+1 |
InChIKey | InChI | 1.03 | MDDYEXZTZUUWBH-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 |
SMILES | CACTVS | 3.385 | C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.6 | C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2 |