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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-2-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=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

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