5-nitro-1-oxidanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine

Systemtic Name: 5-nitro-1-oxidanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine Openeye Name: 5-nitro-1-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]-4-amine CAS Name: 5-nitro-1-oxo-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-spiro[3H-benzimidazol-1-ium-2,1'-cyclohexane]amine IUPAC Name: 5-nitro-1-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)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)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C21H33N5O3+2 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=CC3=C2NC4([N+]3=O)CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=CC3=C2NC4([N+]3=O)CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C21H32N5O3/c1-19(2)12-14(13-20(3,4)24-19)22-17-16(26(28)29)9-8-15-18(17)23-21(25(15)27)10-6-5-7-11-21/h8-9,14,22-24H,5-7,10-13H2,1-4H3/q+1/p+1