(E)-3-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-1-(3-methylphenyl)prop-2-en-1-one chloride

Systemtic Name: (E)-3-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-1-(3-methylphenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-(2-amino-5-chloro-pyridin-1-ium-1-yl)-1-(m-tolyl)prop-2-en-1-one chloride CAS Name: (E)-3-(2-amino-5-chloro-1-pyridin-1-iumyl)-1-(3-methylphenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-(2-amino-5-chloropyridin-1-ium-1-yl)-1-(3-methylphenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-(2-amino-5-chloro-pyridin-1-ium-1-yl)-1-(m-tolyl)prop-2-en-1-one chloride Formula: C15H14Cl2N2O MolecularWeight: 309.19046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN2O.ClH/c1-11-3-2-4-12(9-11)14(19)7-8-18-10-13(16)5-6-15(18)17;/h2-10,17H,1H3;1H/b8-7+;