2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-[3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-[3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]-dimethyl-ammonium CAS Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]-dimethylammonium IUPAC Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]-dimethylazanium Traditional Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]-dimethyl-ammonium Formula: C23H35N4O6+ MolecularWeight: 463.5472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC2=C1C=CN2)O)C3CCCCC3O[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC2=C1C=CN2)O)C3CCCCC3O[N+](=O)[O-]

InChI

InChI=1S/C23H35N4O6/c1-17(28)25(21-8-4-5-9-23(21)33-26(30)31)13-14-27(2,3)15-18(29)16-32-22-10-6-7-20-19(22)11-12-24-20/h6-7,10-12,18,21,23-24,29H,4-5,8-9,13-16H2,1-3H3/q+1