ethanedioate; 2-methoxy-N-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: ethanedioate; 2-methoxy-N-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: 2-methoxy-N-(2-methoxyphenyl)-N-[3-methyl-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-yl]propanamide; oxalate CAS Name: 2-methoxy-N-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)-4-piperidin-1-iumyl]propanamide; oxalate IUPAC Name: 2-methoxy-N-(2-methoxyphenyl)-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]propanamide; oxalate Traditional Name: 2-methoxy-N-(2-methoxyphenyl)-N-[3-methyl-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-yl]propionamide; oxalate Formula: C48H66N4O10S2 MolecularWeight: 923.18844

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCC1N(C2=CC=CC=C2OC)C(=O)C(C)OC)CCC3=CC=CS3.CC1C[NH+](CCC1N(C2=CC=CC=C2OC)C(=O)C(C)OC)CCC3=CC=CS3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1C[NH+](CCC1N(C2=CC=CC=C2OC)C(=O)C(C)OC)CCC3=CC=CS3.CC1C[NH+](CCC1N(C2=CC=CC=C2OC)C(=O)C(C)OC)CCC3=CC=CS3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C23H32N2O3S.C2H2O4/c2*1-17-16-24(13-11-19-8-7-15-29-19)14-12-20(17)25(23(26)18(2)27-3)21-9-5-6-10-22(21)28-4;3-1(4)2(5)6/h2*5-10,15,17-18,20H,11-14,16H2,1-4H3;(H,3,4)(H,5,6)