N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide; 2-hydroxy-2-oxo-acetate CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide; 2-hydroxy-2-oxoacetate Traditional Name: N-homoveratryl-N-methyl-1-(1-propylpiperidin-1-ium-4-yl)nipecotamide binoxalate Formula: C27H43N3O7 MolecularWeight: 521.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H41N3O3.C2H2O4/c1-5-13-27-16-11-22(12-17-27)28-14-6-7-21(19-28)25(29)26(2)15-10-20-8-9-23(30-3)24(18-20)31-4;3-1(4)2(5)6/h8-9,18,21-22H,5-7,10-17,19H2,1-4H3;(H,3,4)(H,5,6)