4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidyl)cyclopropanecarboxamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidinyl)cyclopropanecarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)cyclopropanecarboxamide Traditional Name: N-methyl-N-(4-phenyl-4-piperidyl)cyclopropanecarboxamide; tosylic acid Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C1CC1)C2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C1CC1)C2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N2O.C7H8O3S/c1-18(15(19)13-7-8-13)16(9-11-17-12-10-16)14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,13,17H,7-12H2,1H3;2-5H,1H3,(H,8,9,10)