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

Systemtic Name: ethanedioate; N-[4-(methoxymethyl)-1-phenethyl-piperidin-1-ium-4-yl]-N-phenylmethoxy-ethanamide Openeye Name: N-benzyloxy-N-[4-(methoxymethyl)-1-phenethyl-piperidin-1-ium-4-yl]acetamide; oxalate CAS Name: N-[4-(methoxymethyl)-1-phenethyl-4-piperidin-1-iumyl]-N-phenylmethoxyacetamide; oxalate IUPAC Name: N-[4-(methoxymethyl)-1-phenethylpiperidin-1-ium-4-yl]-N-phenylmethoxyacetamide; oxalate Traditional Name: N-benzoxy-N-[4-(methoxymethyl)-1-phenethyl-piperidin-1-ium-4-yl]acetamide; oxalate Formula: C50H66N4O10 MolecularWeight: 883.07984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)COC)OCC3=CC=CC=C3.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)COC)OCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)COC)OCC3=CC=CC=C3.CC(=O)N(C1(CC[NH+](CC1)CCC2=CC=CC=C2)COC)OCC3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C24H32N2O3.C2H2O4/c2*1-21(27)26(29-19-23-11-7-4-8-12-23)24(20-28-2)14-17-25(18-15-24)16-13-22-9-5-3-6-10-22;3-1(4)2(5)6/h2*3-12H,13-20H2,1-2H3;(H,3,4)(H,5,6)