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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

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