ethanedioic acid; N-ethyl-1-[(4-methylsulfanylphenyl)methyl]-N-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; N-ethyl-1-[(4-methylsulfanylphenyl)methyl]-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-N-ethyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine; oxalic acid CAS Name: N-ethyl-1-[[4-(methylthio)phenyl]methyl]-N-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-benzyl-N-ethyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine; oxalic acid Traditional Name: benzyl-ethyl-[1-[4-(methylthio)benzyl]-4-piperidyl]amine; oxalic acid Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2S.C2H2O4/c1-3-24(18-19-7-5-4-6-8-19)21-13-15-23(16-14-21)17-20-9-11-22(25-2)12-10-20;3-1(4)2(5)6/h4-12,21H,3,13-18H2,1-2H3;(H,3,4)(H,5,6)