6-[5-[(E)-2-phenylethenyl]-1,3-dihydro-1,2,3,4-tetrazol-2-yl]phthalazin-3-ium-1,4-dione chloride

Systemtic Name: 6-[5-[(E)-2-phenylethenyl]-1,3-dihydro-1,2,3,4-tetrazol-2-yl]phthalazin-3-ium-1,4-dione chloride Openeye Name: 6-[5-[(E)-styryl]-1,3-dihydrotetrazol-2-yl]phthalazin-3-ium-1,4-dione chloride CAS Name: 6-[5-[(E)-2-phenylethenyl]-1,3-dihydrotetrazol-2-yl]phthalazin-3-ium-1,4-dione chloride IUPAC Name: 6-[5-[(E)-2-phenylethenyl]-1,3-dihydrotetrazol-2-yl]phthalazin-3-ium-1,4-dione chloride Traditional Name: 6-[5-[(E)-styryl]-1,3-dihydrotetrazol-2-yl]phthalazin-3-ium-1,4-quinone chloride Formula: C17H13ClN6O2 MolecularWeight: 368.77712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NNN(N2)C3=CC4=C(C=C3)C(=O)N=[NH+]C4=O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NNN(N2)C3=CC4=C(C=C3)C(=O)N=[NH+]C4=O.[Cl-]

InChI

InChI=1S/C17H12N6O2.ClH/c24-16-13-8-7-12(10-14(13)17(25)20-19-16)23-21-15(18-22-23)9-6-11-4-2-1-3-5-11;/h1-10,22H,(H,18,21);1H/b9-6+;