3-ethyl-1-methyl-1-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid

Systemtic Name: 3-ethyl-1-methyl-1-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Openeye Name: 3-ethyl-1-methyl-1-(4-phenyl-4-piperidyl)urea; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-1-methyl-1-(4-phenyl-4-piperidinyl)urea; 4-methylbenzenesulfonic acid IUPAC Name: 3-ethyl-1-methyl-1-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Traditional Name: 3-ethyl-1-methyl-1-(4-phenyl-4-piperidyl)urea; tosylic acid Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O.C7H8O3S/c1-3-17-14(19)18(2)15(9-11-16-12-10-15)13-7-5-4-6-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,16H,3,9-12H2,1-2H3,(H,17,19);2-5H,1H3,(H,8,9,10)