ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-thiophen-2-ylethyl)-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl(o-anisyloxy)amino]-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester; oxalate Formula: C48H62N4O14S2 MolecularWeight: 983.15428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)C(=O)OC)OCC3=CC=CC=C3OC.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)C(=O)OC)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)C(=O)OC)OCC3=CC=CC=C3OC.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)C(=O)OC)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C23H30N2O5S.C2H2O4/c2*1-18(26)25(30-17-19-7-4-5-9-21(19)28-2)23(22(27)29-3)11-14-24(15-12-23)13-10-20-8-6-16-31-20;3-1(4)2(5)6/h2*4-9,16H,10-15,17H2,1-3H3;(H,3,4)(H,5,6)