(E)-4-pyridin-1-ium-3-ylbut-3-en-2-one chloride

Systemtic Name: (E)-4-pyridin-1-ium-3-ylbut-3-en-2-one chloride Openeye Name: (E)-4-pyridin-1-ium-3-ylbut-3-en-2-one chloride CAS Name: (E)-4-(3-pyridin-1-iumyl)-3-buten-2-one chloride IUPAC Name: (E)-4-pyridin-1-ium-3-ylbut-3-en-2-one chloride Traditional Name: (E)-4-pyridin-1-ium-3-ylbut-3-en-2-one chloride Formula: C9H10ClNO MolecularWeight: 183.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C[NH+]=CC=C1.[Cl-]

Isomeric SMILES

CC(=O)/C=C/C1=C[NH+]=CC=C1.[Cl-]

InChI

InChI=1S/C9H9NO.ClH/c1-8(11)4-5-9-3-2-6-10-7-9;/h2-7H,1H3;1H/b5-4+;