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

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-phenylpropyl)piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-phenylpropyl)-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-phenylpropyl)piperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl(o-anisyloxy)amino]-1-(2-phenylpropyl)piperidin-1-ium-4-carboxylic acid methyl ester; oxalate Formula: C54H70N4O14 MolecularWeight: 999.152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(CC1)(C(=O)OC)N(C(=O)C)OCC2=CC=CC=C2OC)C3=CC=CC=C3.CC(C[NH+]1CCC(CC1)(C(=O)OC)N(C(=O)C)OCC2=CC=CC=C2OC)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C[NH+]1CCC(CC1)(C(=O)OC)N(C(=O)C)OCC2=CC=CC=C2OC)C3=CC=CC=C3.CC(C[NH+]1CCC(CC1)(C(=O)OC)N(C(=O)C)OCC2=CC=CC=C2OC)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C26H34N2O5.C2H2O4/c2*1-20(22-10-6-5-7-11-22)18-27-16-14-26(15-17-27,25(30)32-4)28(21(2)29)33-19-23-12-8-9-13-24(23)31-3;3-1(4)2(5)6/h2*5-13,20H,14-19H2,1-4H3;(H,3,4)(H,5,6)