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

Systemtic Name: 1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azepan-1-ium]-2-one chloride Openeye Name: 1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azepan-1-ium]-2-one chloride CAS Name: 1-methyl-7-nitro-2-spiro[3H-quinoxalin-4-ium-4,1'-azepan-1-ium]one chloride IUPAC Name: 1-methyl-7-nitrospiro[3H-quinoxalin-4-ium-4,1'-azepan-1-ium]-2-one chloride Traditional Name: 1-methyl-7-nitro-spiro[3H-quinoxalin-4-ium-4,1'-azepan-1-ium]-2-one chloride Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C[N+]2(CCCCCC2)C3=C1C=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN1C(=O)C[N+]2(CCCCCC2)C3=C1C=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H20N3O3.ClH/c1-16-13-10-12(17(20)21)6-7-14(13)18(11-15(16)19)8-4-2-3-5-9-18;/h6-7,10H,2-5,8-9,11H2,1H3;1H/q+1;/p-1