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

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-phenethyl-piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-phenethyl-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-phenethylpiperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl(o-anisyloxy)amino]-1-phenethyl-piperidin-1-ium-4-carboxylic acid methyl ester; oxalate Formula: C52H66N4O14 MolecularWeight: 971.09884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.CC(=O)N(C1(CC[NH+](CC1)CCC2=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)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)C(=O)OC)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C25H32N2O5.C2H2O4/c2*1-20(28)27(32-19-22-11-7-8-12-23(22)30-2)25(24(29)31-3)14-17-26(18-15-25)16-13-21-9-5-4-6-10-21;3-1(4)2(5)6/h2*4-12H,13-19H2,1-3H3;(H,3,4)(H,5,6)