ethyl N-[1,4-bis(phenylmethyl)piperidin-4-yl]carbamate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl N-[1,4-bis(phenylmethyl)piperidin-4-yl]carbamate; 4-methylbenzenesulfonic acid Openeye Name: ethyl N-(1,4-dibenzyl-4-piperidyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: N-[1,4-bis(phenylmethyl)-4-piperidinyl]carbamic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl N-(1,4-dibenzylpiperidin-4-yl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(1,4-dibenzyl-4-piperidyl)carbamic acid ethyl ester; tosylic acid Formula: C29H36N2O5S MolecularWeight: 524.67154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCN(CC1)CC2=CC=CC=C2)CC3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)CC2=CC=CC=C2)CC3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H28N2O2.C7H8O3S/c1-2-26-21(25)23-22(17-19-9-5-3-6-10-19)13-15-24(16-14-22)18-20-11-7-4-8-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,2,13-18H2,1H3,(H,23,25);2-5H,1H3,(H,8,9,10)