4-(3-prop-2-enyl-1H-imidazol-3-ium-5-yl)benzoic acid chloride

Systemtic Name: 4-(3-prop-2-enyl-1H-imidazol-3-ium-5-yl)benzoic acid chloride Openeye Name: 4-(3-allyl-1H-imidazol-3-ium-5-yl)benzoic acid chloride CAS Name: 4-(3-prop-2-enyl-1H-imidazol-3-ium-5-yl)benzoic acid chloride IUPAC Name: 4-(3-prop-2-enyl-1H-imidazol-3-ium-5-yl)benzoic acid chloride Traditional Name: 4-(3-allyl-1H-imidazol-3-ium-5-yl)benzoic acid chloride Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CNC(=C1)C2=CC=C(C=C2)C(=O)O.[Cl-]

Isomeric SMILES

C=CC[N+]1=CNC(=C1)C2=CC=C(C=C2)C(=O)O.[Cl-]

InChI

InChI=1S/C13H12N2O2.ClH/c1-2-7-15-8-12(14-9-15)10-3-5-11(6-4-10)13(16)17;/h2-6,8-9H,1,7H2,(H,16,17);1H