2-(4-nonan-5-ylpyridin-1-ium-1-yl)-1-phenyl-ethanone chloride

Systemtic Name: 2-(4-nonan-5-ylpyridin-1-ium-1-yl)-1-phenyl-ethanone chloride Openeye Name: 2-[4-(1-butylpentyl)pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride CAS Name: 2-(4-nonan-5-yl-1-pyridin-1-iumyl)-1-phenylethanone chloride IUPAC Name: 2-(4-nonan-5-ylpyridin-1-ium-1-yl)-1-phenylethanone chloride Traditional Name: 2-[4-(1-butylpentyl)pyridin-1-ium-1-yl]-1-phenyl-ethanone chloride Formula: C22H30ClNO MolecularWeight: 359.9327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30NO.ClH/c1-3-5-10-19(11-6-4-2)20-14-16-23(17-15-20)18-22(24)21-12-8-7-9-13-21;/h7-9,12-17,19H,3-6,10-11,18H2,1-2H3;1H/q+1;/p-1