(E)-3-(2-azanylpyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride

Systemtic Name: (E)-3-(2-azanylpyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride CAS Name: (E)-3-(2-amino-1-pyridin-1-iumyl)-1-(2,4-dimethylphenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride Formula: C16H17ClN2O MolecularWeight: 288.77198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C=C[N+]2=CC=CC=C2N)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)/C=C/[N+]2=CC=CC=C2N)C.[Cl-]

InChI

InChI=1S/C16H16N2O.ClH/c1-12-6-7-14(13(2)11-12)15(19)8-10-18-9-4-3-5-16(18)17;/h3-11,17H,1-2H3;1H/b10-8+;