ethyl N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]carbamate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]carbamate; 4-methylbenzenesulfonic acid Openeye Name: ethyl N-methyl-N-[(4-phenyl-4-piperidyl)methyl]carbamate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-methyl-N-[(4-phenyl-4-piperidinyl)methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-methyl-N-[(4-phenylpiperidin-4-yl)methyl]carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-methyl-N-[(4-phenyl-4-piperidyl)methyl]carbamic acid ethyl ester; tosylic acid Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2.C7H8O3S/c1-3-20-15(19)18(2)13-16(9-11-17-12-10-16)14-7-5-4-6-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,17H,3,9-13H2,1-2H3;2-5H,1H3,(H,8,9,10)