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

Systemtic Name: ethyl N-[4-(phenylmethyl)piperidin-4-yl]carbamate; 4-methylbenzenesulfonic acid Openeye Name: ethyl N-(4-benzyl-4-piperidyl)carbamate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-[4-(phenylmethyl)-4-piperidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(4-benzylpiperidin-4-yl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(4-benzyl-4-piperidyl)carbamic acid ethyl ester; tosylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCNCC1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1(CCNCC1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H22N2O2.C7H8O3S/c1-2-19-14(18)17-15(8-10-16-11-9-15)12-13-6-4-3-5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,16H,2,8-12H2,1H3,(H,17,18);2-5H,1H3,(H,8,9,10)