1,1-dimethyl-3-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1,1-dimethyl-3-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]urea; 4-methylbenzenesulfonic acid Openeye Name: 3-(1-benzyl-4-phenyl-4-piperidyl)-1,1-dimethyl-urea; 4-methylbenzenesulfonic acid CAS Name: 1,1-dimethyl-3-[4-phenyl-1-(phenylmethyl)-4-piperidinyl]urea; 4-methylbenzenesulfonic acid IUPAC Name: 3-(1-benzyl-4-phenylpiperidin-4-yl)-1,1-dimethylurea; 4-methylbenzenesulfonic acid Traditional Name: 3-(1-benzyl-4-phenyl-4-piperidyl)-1,1-dimethyl-urea; tosylic acid Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C(=O)NC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C(=O)NC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O.C7H8O3S/c1-23(2)20(25)22-21(19-11-7-4-8-12-19)13-15-24(16-14-21)17-18-9-5-3-6-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,13-17H2,1-2H3,(H,22,25);2-5H,1H3,(H,8,9,10)