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

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]ethanamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(4-phenyl-4-piperidyl)methyl]acetamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(4-phenyl-4-piperidinyl)methyl]acetamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]acetamide Traditional Name: N-methyl-N-[(4-phenyl-4-piperidyl)methyl]acetamide; tosylic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O.C7H8O3S/c1-13(18)17(2)12-15(8-10-16-11-9-15)14-6-4-3-5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,16H,8-12H2,1-2H3;2-5H,1H3,(H,8,9,10)