N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-4-hydroxy-benzyl)-N-homoveratryl-piperidin-1-ium-4-carboxamide Formula: C25H35N2O5+ MolecularWeight: 443.5558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C25H34N2O5/c1-4-32-23-16-19(5-7-21(23)28)17-27-13-10-20(11-14-27)25(29)26-12-9-18-6-8-22(30-2)24(15-18)31-3/h5-8,15-16,20,28H,4,9-14,17H2,1-3H3,(H,26,29)/p+1