N-ethyl-N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]methanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-ethyl-N-[4-phenyl-1-(phenylmethyl)piperidin-4-yl]methanamide; 4-methylbenzenesulfonic acid Openeye Name: N-(1-benzyl-4-phenyl-4-piperidyl)-N-ethyl-formamide; 4-methylbenzenesulfonic acid CAS Name: N-ethyl-N-[4-phenyl-1-(phenylmethyl)-4-piperidinyl]formamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(1-benzyl-4-phenylpiperidin-4-yl)-N-ethylformamide; 4-methylbenzenesulfonic acid Traditional Name: N-(1-benzyl-4-phenyl-4-piperidyl)-N-ethyl-formamide; tosylic acid Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O.C7H8O3S/c1-2-23(18-24)21(20-11-7-4-8-12-20)13-15-22(16-14-21)17-19-9-5-3-6-10-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-12,18H,2,13-17H2,1H3;2-5H,1H3,(H,8,9,10)