7-nitrospiro[1,3-dihydroquinoxalin-4-ium-4,1'-azepan-1-ium]-2-one chloride

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+]2(CC1)CC(=O)NC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CCC[N+]2(CC1)CC(=O)NC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H17N3O3.ClH/c18-14-10-17(7-3-1-2-4-8-17)13-6-5-11(16(19)20)9-12(13)15-14;/h5-6,9H,1-4,7-8,10H2;1H