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

Systemtic Name: (E)-3-(2-azanyl-5-chloranyl-pyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-(2-amino-5-chloro-pyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride CAS Name: (E)-3-(2-amino-5-chloro-1-pyridin-1-iumyl)-1-(3-bromophenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-(2-amino-5-chloropyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-(2-amino-5-chloro-pyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one chloride Formula: C14H11BrCl2N2O MolecularWeight: 374.05994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrClN2O.ClH/c15-11-3-1-2-10(8-11)13(19)6-7-18-9-12(16)4-5-14(18)17;/h1-9,17H;1H/b7-6+;