N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-homoveratryl-acetamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-5-18(6-2)19-10-13-24(14-11-19)16-22(25)23-12-9-17-7-8-20(26-3)21(15-17)27-4/h7-8,10-11,13-15,18H,5-6,9,12,16H2,1-4H3/p+1