1-[4-(diethylamino)-3-(2-phenylnaphthalen-1-yl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-[4-(diethylamino)-3-(2-phenylnaphthalen-1-yl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 1-[4-(diethylamino)-3-(2-phenyl-1-naphthyl)pyridin-1-ium-1-yl]ethanone chloride CAS Name: 1-[4-(diethylamino)-3-(2-phenyl-1-naphthalenyl)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 1-[4-(diethylamino)-3-(2-phenylnaphthalen-1-yl)pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 1-[4-(diethylamino)-3-(2-phenyl-1-naphthyl)pyridin-1-ium-1-yl]ethanone chloride Formula: C27H27ClN2O MolecularWeight: 430.96908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=[N+](C=C1)C(=O)C)C2=C(C=CC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCN(CC)C1=C(C=[N+](C=C1)C(=O)C)C2=C(C=CC3=CC=CC=C32)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H27N2O.ClH/c1-4-28(5-2)26-17-18-29(20(3)30)19-25(26)27-23-14-10-9-13-22(23)15-16-24(27)21-11-7-6-8-12-21;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1