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

Systemtic Name: 3-ethyl-1-methyl-1-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]urea; 4-methylbenzenesulfonic acid Openeye Name: 1-(1-benzyl-4-phenyl-4-piperidyl)-3-ethyl-1-methyl-urea; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-1-methyl-1-[4-phenyl-1-(phenylmethyl)-4-piperidinyl]urea; 4-methylbenzenesulfonic acid IUPAC Name: 1-(1-benzyl-4-phenylpiperidin-4-yl)-3-ethyl-1-methylurea; 4-methylbenzenesulfonic acid Traditional Name: 1-(1-benzyl-4-phenyl-4-piperidyl)-3-ethyl-1-methyl-urea; tosylic acid Formula: C29H37N3O4S MolecularWeight: 523.68678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCNC(=O)N(C)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H29N3O.C7H8O3S/c1-3-23-21(26)24(2)22(20-12-8-5-9-13-20)14-16-25(17-15-22)18-19-10-6-4-7-11-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,3,14-18H2,1-2H3,(H,23,26);2-5H,1H3,(H,8,9,10)