1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azinan-1-ium]-2-one chloride

Systemtic Name: 1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azinan-1-ium]-2-one chloride Openeye Name: 1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azinan-1-ium]-2-one chloride CAS Name: 1-methyl-7-nitro-2-spiro[3H-quinoxalin-4-ium-4,1'-azinan-1-ium]one chloride IUPAC Name: 1-methyl-7-nitrospiro[3H-quinoxalin-4-ium-4,1'-azinan-1-ium]-2-one chloride Traditional Name: 1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azinan-1-ium]-2-one chloride Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C[N+]2(CCCCC2)C3=C1C=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN1C(=O)C[N+]2(CCCCC2)C3=C1C=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H18N3O3.ClH/c1-15-12-9-11(16(19)20)5-6-13(12)17(10-14(15)18)7-3-2-4-8-17;/h5-6,9H,2-4,7-8,10H2,1H3;1H/q+1;/p-1