A1LX5
Summary
| Name: | (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine |
| Synonyms: | Nomifensine |
| Formula: | C16 H18 N2 |
| Formal charge: | 0 |
| Formula weight: | 238.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-2-methyl-4-phenyl-3,4-dihydro-1~{H}-isoquinolin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | XXPANQJNYNUNES-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1 |
| SMILES | CACTVS | 3.385 | CN1C[CH](c2ccccc2)c3cccc(N)c3C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1Cc2c(cccc2N)C(C1)c3ccccc3 |
