4-methylbenzenesulfonic acid; N-methyl-N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]prop-2-enamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]prop-2-enamide Openeye Name: N-(1-benzyl-4-phenyl-4-piperidyl)-N-methyl-prop-2-enamide; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[4-phenyl-1-(phenylmethyl)-4-piperidinyl]-2-propenamide IUPAC Name: N-(1-benzyl-4-phenylpiperidin-4-yl)-N-methylprop-2-enamide; 4-methylbenzenesulfonic acid Traditional Name: N-(1-benzyl-4-phenyl-4-piperidyl)-N-methyl-acrylamide; tosylic acid Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C=C)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C(=O)C=C)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O.C7H8O3S/c1-3-21(25)23(2)22(20-12-8-5-9-13-20)14-16-24(17-15-22)18-19-10-6-4-7-11-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1,14-18H2,2H3;2-5H,1H3,(H,8,9,10)