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

Systemtic Name: ethanedioate; methyl 4-[ethanoyl-[(2-methoxyphenyl)methoxy]amino]-1-pentan-2-yl-piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(1-methylbutyl)piperidin-1-ium-4-carboxylate; oxalate CAS Name: 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-pentan-2-yl-4-piperidin-1-iumcarboxylic acid methyl ester; oxalate IUPAC Name: methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-pentan-2-ylpiperidin-1-ium-4-carboxylate; oxalate Traditional Name: 4-[acetyl(o-anisyloxy)amino]-1-(1-methylbutyl)piperidin-1-ium-4-carboxylic acid methyl ester; oxalate Formula: C46H70N4O14 MolecularWeight: 903.0664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H34N2O5.C2H2O4/c2*1-6-9-17(2)23-14-12-22(13-15-23,21(26)28-5)24(18(3)25)29-16-19-10-7-8-11-20(19)27-4;3-1(4)2(5)6/h2*7-8,10-11,17H,6,9,12-16H2,1-5H3;(H,3,4)(H,5,6)