(E)-1-phenyl-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one chloride

Systemtic Name: (E)-1-phenyl-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one chloride Openeye Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-phenyl-prop-2-en-1-one chloride CAS Name: (E)-1-phenyl-3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-propen-1-one chloride IUPAC Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-phenylprop-2-en-1-one chloride Traditional Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-phenyl-prop-2-en-1-one chloride Formula: C21H18ClNO MolecularWeight: 335.82672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C=CC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)/C=C/C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H18NO.ClH/c23-21(20-11-5-2-6-12-20)13-15-22-14-7-10-19(17-22)16-18-8-3-1-4-9-18;/h1-15,17H,16H2;1H/q+1;/p-1/b15-13+;