(2S)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]ethanamide chloride

Systemtic Name: (2S)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]ethanamide chloride Openeye Name: (2S)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide chloride CAS Name: (2S)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide chloride IUPAC Name: (2S)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide chloride Traditional Name: (2S)-2-isothiocyanato-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidinocyclohexyl]acetamide chloride Formula: C20H27ClN3OS- MolecularWeight: 392.96588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1N2CCCC2)C(=O)C(C3=CC=CC=C3)N=C=S.[Cl-]

Isomeric SMILES

CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)[C@H](C3=CC=CC=C3)N=C=S.[Cl-]

InChI

InChI=1S/C20H27N3OS.ClH/c1-22(17-11-5-6-12-18(17)23-13-7-8-14-23)20(24)19(21-15-25)16-9-3-2-4-10-16;/h2-4,9-10,17-19H,5-8,11-14H2,1H3;1H/p-1/t17-,18-,19-;/m0./s1