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

Systemtic Name: 1,1-dimethyl-3-[4-(phenylmethyl)piperidin-4-yl]urea; 4-methylbenzenesulfonic acid Openeye Name: 3-(4-benzyl-4-piperidyl)-1,1-dimethyl-urea; 4-methylbenzenesulfonic acid CAS Name: 1,1-dimethyl-3-[4-(phenylmethyl)-4-piperidinyl]urea; 4-methylbenzenesulfonic acid IUPAC Name: 3-(4-benzylpiperidin-4-yl)-1,1-dimethylurea; 4-methylbenzenesulfonic acid Traditional Name: 3-(4-benzyl-4-piperidyl)-1,1-dimethyl-urea; tosylic acid Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C(=O)NC1(CCNCC1)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C(=O)NC1(CCNCC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H23N3O.C7H8O3S/c1-18(2)14(19)17-15(8-10-16-11-9-15)12-13-6-4-3-5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,16H,8-12H2,1-2H3,(H,17,19);2-5H,1H3,(H,8,9,10)