2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-dimethyl-[3-(3-methylbenzimidazol-4-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: 2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-dimethyl-[3-(3-methylbenzimidazol-4-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(3-methylbenzimidazol-4-yl)oxy-propyl]-dimethyl-ammonium CAS Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-[(3-methyl-4-benzimidazolyl)oxy]propyl]-dimethylammonium IUPAC Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(3-methylbenzimidazol-4-yl)oxypropyl]-dimethylazanium Traditional Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(3-methylbenzimidazol-4-yl)oxy-propyl]-dimethyl-ammonium Formula: C23H36N5O6+ MolecularWeight: 478.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC2=C1N(C=N2)C)O)C3CCCCC3O[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC2=C1N(C=N2)C)O)C3CCCCC3O[N+](=O)[O-]

InChI

InChI=1S/C23H36N5O6/c1-17(29)26(20-9-5-6-10-21(20)34-27(31)32)12-13-28(3,4)14-18(30)15-33-22-11-7-8-19-23(22)25(2)16-24-19/h7-8,11,16,18,20-21,30H,5-6,9-10,12-15H2,1-4H3/q+1