ethanedioate; N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]-N-phenylmethoxy-ethanamide

Systemtic Name: ethanedioate; N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]-N-phenylmethoxy-ethanamide Openeye Name: N-benzyloxy-N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-yl]acetamide; oxalate CAS Name: N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)-4-piperidin-1-iumyl]-N-phenylmethoxyacetamide; oxalate IUPAC Name: N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-yl]-N-phenylmethoxyacetamide; oxalate Traditional Name: N-benzoxy-N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-yl]acetamide; oxalate Formula: C46H62N4O10S2 MolecularWeight: 895.13528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)COC)OCC3=CC=CC=C3.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)COC)OCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)COC)OCC3=CC=CC=C3.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CS2)COC)OCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C22H30N2O3S.C2H2O4/c2*1-19(25)24(27-17-20-7-4-3-5-8-20)22(18-26-2)11-14-23(15-12-22)13-10-21-9-6-16-28-21;3-1(4)2(5)6/h2*3-9,16H,10-15,17-18H2,1-2H3;(H,3,4)(H,5,6)