ethanedioic acid; N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(phenylmethyl)piperidin-4-amine

Systemtic Name: ethanedioic acid; N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(phenylmethyl)piperidin-4-amine Openeye Name: 1-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidin-4-amine; oxalic acid CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-[2-[(1-methylimidazol-2-yl)thio]ethyl]amine; oxalic acid Formula: C20H28N4O4S MolecularWeight: 420.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CN=C1SCCNC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N4S.C2H2O4/c1-21-13-9-20-18(21)23-14-10-19-17-7-11-22(12-8-17)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,9,13,17,19H,7-8,10-12,14-15H2,1H3;(H,3,4)(H,5,6)