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

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)ethanamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidyl)acetamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenyl-4-piperidinyl)acetamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-(4-phenylpiperidin-4-yl)acetamide Traditional Name: N-methyl-N-(4-phenyl-4-piperidyl)acetamide; tosylic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)N(C)C1(CCNCC1)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)N(C)C1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H20N2O.C7H8O3S/c1-12(17)16(2)14(8-10-15-11-9-14)13-6-4-3-5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,15H,8-11H2,1-2H3;2-5H,1H3,(H,8,9,10)