ethanedioate; 2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)-N-phenyl-propanamide

Systemtic Name: ethanedioate; 2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)-N-phenyl-propanamide Openeye Name: 2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)-N-phenyl-propanamide; oxalate CAS Name: 2-methoxy-N-(3-methyl-1-phenethyl-4-piperidin-1-iumyl)-N-phenylpropanamide; oxalate IUPAC Name: 2-methoxy-N-(3-methyl-1-phenethylpiperidin-1-ium-4-yl)-N-phenylpropanamide; oxalate Traditional Name: 2-methoxy-N-(3-methyl-1-phenethyl-piperidin-1-ium-4-yl)-N-phenyl-propionamide; oxalate Formula: C50H66N4O8 MolecularWeight: 851.08104

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C(C)OC)CCC3=CC=CC=C3.CC1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C(C)OC)CCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C(C)OC)CCC3=CC=CC=C3.CC1C[NH+](CCC1N(C2=CC=CC=C2)C(=O)C(C)OC)CCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C24H32N2O2.C2H2O4/c2*1-19-18-25(16-14-21-10-6-4-7-11-21)17-15-23(19)26(24(27)20(2)28-3)22-12-8-5-9-13-22;3-1(4)2(5)6/h2*4-13,19-20,23H,14-18H2,1-3H3;(H,3,4)(H,5,6)