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

Systemtic Name: (E)-3-(4-azanylpyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-(4-aminopyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride CAS Name: (E)-3-(4-amino-1-pyridin-1-iumyl)-1-(2,4-dimethylphenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-(4-aminopyridin-1-ium-1-yl)-1-(2,4-dimethylphenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-(4-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=C(C=C2)N)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)/C=C/[N+]2=CC=C(C=C2)N)C.[Cl-]

InChI

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