(E)-3-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-1-(4-ethylphenyl)prop-2-en-1-one chloride

Systemtic Name: (E)-3-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-1-(4-ethylphenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-(2-amino-5-chloro-pyridin-1-ium-1-yl)-1-(4-ethylphenyl)prop-2-en-1-one chloride CAS Name: (E)-3-(2-amino-5-chloro-1-pyridin-1-iumyl)-1-(4-ethylphenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-(2-amino-5-chloropyridin-1-ium-1-yl)-1-(4-ethylphenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-(2-amino-5-chloro-pyridin-1-ium-1-yl)-1-(4-ethylphenyl)prop-2-en-1-one chloride Formula: C16H16Cl2N2O MolecularWeight: 323.21704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C=C[N+]2=C(C=CC(=C2)Cl)N.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)/C=C/[N+]2=C(C=CC(=C2)Cl)N.[Cl-]

InChI

InChI=1S/C16H15ClN2O.ClH/c1-2-12-3-5-13(6-4-12)15(20)9-10-19-11-14(17)7-8-16(19)18;/h3-11,18H,2H2,1H3;1H/b10-9+;