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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-pentan-3-yl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C21H29N2O2+ MolecularWeight: 341.46716

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2/c1-4-18(5-2)19-11-14-23(15-12-19)16-21(24)22-13-10-17-6-8-20(25-3)9-7-17/h6-9,11-12,14-15,18H,4-5,10,13,16H2,1-3H3/p+1