4-morpholin-4-yl-5-nitro-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide

Systemtic Name: 4-morpholin-4-yl-5-nitro-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide Openeye Name: 4-morpholino-5-nitro-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide CAS Name: 4-(4-morpholinyl)-5-nitrospiro[3H-benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide IUPAC Name: 4-morpholin-4-yl-5-nitrospiro[3H-benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide Traditional Name: 4-morpholino-5-nitro-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide Formula: C16H21N4O4+ MolecularWeight: 333.36234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=C([N+]2=O)C=CC(=C3N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(CC1)NC3=C([N+]2=O)C=CC(=C3N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C16H21N4O4/c21-19-12-4-5-13(20(22)23)15(18-8-10-24-11-9-18)14(12)17-16(19)6-2-1-3-7-16/h4-5,17H,1-3,6-11H2/q+1