5-nitro-1-oxidanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[benzimidazole-2,1'-cyclohexane]-4-imine

Systemtic Name: 5-nitro-1-oxidanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[benzimidazole-2,1'-cyclohexane]-4-imine Openeye Name: 1-hydroxy-5-nitro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[benzimidazole-2,1'-cyclohexane]-4-imine CAS Name: 1-hydroxy-5-nitro-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine IUPAC Name: 1-hydroxy-5-nitro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)spiro[benzimidazole-2,1'-cyclohexane]-4-imine Traditional Name: (1-hydroxy-5-nitro-spiro[benzimidazole-2,1'-cyclohexane]-4-ylidene)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C21H32N5O3+ MolecularWeight: 402.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N=C2C(=CC=C3C2=NC4(N3O)CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N=C2C(=CC=C3C2=NC4(N3O)CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C21H31N5O3/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/h8-9,14,24,27H,5-7,10-13H2,1-4H3/p+1