N-butyl-5-nitro-1-oxidanylidene-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine

Systemtic Name: N-butyl-5-nitro-1-oxidanylidene-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine Openeye Name: N-butyl-5-nitro-1-oxo-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine CAS Name: N-butyl-5-nitro-1-oxo-4-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]amine IUPAC Name: N-butyl-5-nitro-1-oxospiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine Traditional Name: butyl-(1-keto-5-nitro-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-yl)amine Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=CC2=C1NC3([N+]2=O)CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=CC2=C1NC3([N+]2=O)CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N4O3/c1-2-3-11-17-14-13(20(22)23)8-7-12-15(14)18-16(19(12)21)9-5-4-6-10-16/h7-8,17-18H,2-6,9-11H2,1H3/q+1