5-nitro-1-oxidanylidene-N-(2-pyridin-2-ylethyl)spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine

Systemtic Name: 5-nitro-1-oxidanylidene-N-(2-pyridin-2-ylethyl)spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine Openeye Name: 5-nitro-1-oxo-N-[2-(2-pyridyl)ethyl]spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine CAS Name: 5-nitro-1-oxo-N-[2-(2-pyridinyl)ethyl]-4-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]amine IUPAC Name: 5-nitro-1-oxo-N-(2-pyridin-2-ylethyl)spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine Traditional Name: (1-keto-5-nitro-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-yl)-[2-(2-pyridyl)ethyl]amine Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)NC3=C([N+]2=O)C=CC(=C3NCCC4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(CC1)NC3=C([N+]2=O)C=CC(=C3NCCC4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N5O3/c25-23-15-7-8-16(24(26)27)17(21-13-9-14-6-2-5-12-20-14)18(15)22-19(23)10-3-1-4-11-19/h2,5-8,12,21-22H,1,3-4,9-11,13H2/q+1