RAZ
概要
| 表記: | (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM |
| 別名: | (4R)-7-AZABISABOLENE R-AZABISABOLENE |
| 組成式: | C14 H26 N |
| 電荷: | 1 |
| 化学式量: | 208.363 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (1S)-N,4-dimethyl-N-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-aminium |
| OpenEye OEToolkits | 1.5.0 | (R)-methyl-[(1S)-4-methyl-1-cyclohex-3-enyl]-(4-methylpent-3-enyl)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 |
| SMILES | ACDLabs | 10.04 | C1=C(C)CCC([NH+](C)CC\C=C(/C)C)C1 |
| InChI | InChI | 1.03 | InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | GGPFTSMJRHEOJG-CQSZACIVSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[NH+](CCC=C(C)C)[C@H]1CCC(=CC1)C |
| SMILES | CACTVS | 3.385 | C[NH+](CCC=C(C)C)[CH]1CCC(=CC1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC1=CCC(CC1)[NH+](C)CCC=C(C)C |
