4-methylbenzenesulfonic acid; 1,1,3-trimethyl-3-[(4-phenylpiperidin-4-yl)methyl]urea

Systemtic Name: 4-methylbenzenesulfonic acid; 1,1,3-trimethyl-3-[(4-phenylpiperidin-4-yl)methyl]urea Openeye Name: 4-methylbenzenesulfonic acid; 1,1,3-trimethyl-3-[(4-phenyl-4-piperidyl)methyl]urea CAS Name: 4-methylbenzenesulfonic acid; 1,1,3-trimethyl-3-[(4-phenyl-4-piperidinyl)methyl]urea IUPAC Name: 4-methylbenzenesulfonic acid; 1,1,3-trimethyl-3-[(4-phenylpiperidin-4-yl)methyl]urea Traditional Name: tosylic acid; 1,1,3-trimethyl-3-[(4-phenyl-4-piperidyl)methyl]urea Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O.C7H8O3S/c1-18(2)15(20)19(3)13-16(9-11-17-12-10-16)14-7-5-4-6-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,17H,9-13H2,1-3H3;2-5H,1H3,(H,8,9,10)