1,1-dimethyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1,1-dimethyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Openeye Name: 1,1-dimethyl-3-(4-phenyl-4-piperidyl)urea; 4-methylbenzenesulfonic acid CAS Name: 1,1-dimethyl-3-(4-phenyl-4-piperidinyl)urea; 4-methylbenzenesulfonic acid IUPAC Name: 1,1-dimethyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Traditional Name: 1,1-dimethyl-3-(4-phenyl-4-piperidyl)urea; tosylic acid Formula: C21H29N3O4S MolecularWeight: 419.53766

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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)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O.C7H8O3S/c1-17(2)13(18)16-14(8-10-15-11-9-14)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,15H,8-11H2,1-2H3,(H,16,18);2-5H,1H3,(H,8,9,10)