2-(4-pentylpyridin-1-ium-1-yl)-1-phenyl-ethanone chloride

Systemtic Name: 2-(4-pentylpyridin-1-ium-1-yl)-1-phenyl-ethanone chloride Openeye Name: 2-(4-pentylpyridin-1-ium-1-yl)-1-phenyl-ethanone chloride CAS Name: 2-(4-pentyl-1-pyridin-1-iumyl)-1-phenylethanone chloride IUPAC Name: 2-(4-pentylpyridin-1-ium-1-yl)-1-phenylethanone chloride Traditional Name: 2-(4-amylpyridin-1-ium-1-yl)-1-phenyl-ethanone chloride Formula: C18H22ClNO MolecularWeight: 303.82638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H22NO.ClH/c1-2-3-5-8-16-11-13-19(14-12-16)15-18(20)17-9-6-4-7-10-17;/h4,6-7,9-14H,2-3,5,8,15H2,1H3;1H/q+1;/p-1