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

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-benzyl-piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-benzylpiperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl(o-anisyloxy)amino]-1-benzyl-piperidin-1-ium-4-carboxylic acid methyl ester; oxalate Formula: C50H62N4O14 MolecularWeight: 943.04568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.CC(=O)N(C1(CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)N(C1(CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.CC(=O)N(C1(CC[NH+](CC1)CC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C24H30N2O5.C2H2O4/c2*1-19(27)26(31-18-21-11-7-8-12-22(21)29-2)24(23(28)30-3)13-15-25(16-14-24)17-20-9-5-4-6-10-20;3-1(4)2(5)6/h2*4-12H,13-18H2,1-3H3;(H,3,4)(H,5,6)