N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-N-methyl-1-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C23H31N3O3/c1-25(13-9-18-7-8-21(28-2)22(16-18)29-3)23(27)19-10-14-26(15-11-19)17-20-6-4-5-12-24-20/h4-8,12,16,19H,9-11,13-15,17H2,1-3H3/p+1