spiro[2H-indazol-1-ium-1,1'-azepan-1-ium]-3-one chloride

Systemtic Name: spiro[2H-indazol-1-ium-1,1'-azepan-1-ium]-3-one chloride Openeye Name: spiro[2H-indazol-1-ium-1,1'-azepan-1-ium]-3-one chloride CAS Name: 3-spiro[2H-indazol-1-ium-1,1'-azepan-1-ium]one chloride IUPAC Name: spiro[2H-indazol-1-ium-1,1'-azepan-1-ium]-3-one chloride Traditional Name: spiro[2H-indazol-1-ium-1,1'-azepan-1-ium]-3-one chloride Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+]2(CC1)C3=CC=CC=C3C(=O)N2.[Cl-]

Isomeric SMILES

C1CCC[N+]2(CC1)C3=CC=CC=C3C(=O)N2.[Cl-]

InChI

InChI=1S/C13H16N2O.ClH/c16-13-11-7-3-4-8-12(11)15(14-13)9-5-1-2-6-10-15;/h3-4,7-8H,1-2,5-6,9-10H2;1H