2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C24H27N2OS+ MolecularWeight: 391.54898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C24H26N2OS/c1-3-19(4-2)20-14-16-26(17-15-20)18-24(27)25-22-12-8-9-13-23(22)28-21-10-6-5-7-11-21/h5-17,19H,3-4,18H2,1-2H3/p+1