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

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-(1-phenylethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(1-phenylethyl)piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(1-phenylethyl)-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(1-phenylethyl)piperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl(o-anisyloxy)amino]-1-(1-phenylethyl)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(C1=CC=CC=C1)[NH+]2CCC(CC2)(C(=O)OC)N(C(=O)C)OCC3=CC=CC=C3OC.CC(C1=CC=CC=C1)[NH+]2CCC(CC2)(C(=O)OC)N(C(=O)C)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)[NH+]2CCC(CC2)(C(=O)OC)N(C(=O)C)OCC3=CC=CC=C3OC.CC(C1=CC=CC=C1)[NH+]2CCC(CC2)(C(=O)OC)N(C(=O)C)OCC3=CC=CC=C3OC.C(=O)(C(=O)[O-])[O-]

InChI

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