2-(2-isothiocyanatophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]ethanamide chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC=CC=C3N=C=S.[Cl-]

Isomeric SMILES

CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC=CC=C3N=C=S.[Cl-]

InChI

InChI=1S/C20H27N3OS.ClH/c1-22(18-10-4-5-11-19(18)23-12-6-7-13-23)20(24)14-16-8-2-3-9-17(16)21-15-25;/h2-3,8-9,18-19H,4-7,10-14H2,1H3;1H/p-1/t18-,19-;/m1./s1