2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: 2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethyl-ammonium CAS Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethylammonium IUPAC Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethylazanium Traditional Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-dimethyl-ammonium Formula: C22H36N3O7+ MolecularWeight: 454.53714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC=C1OC)O)C2CCCCC2O[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC=C1OC)O)C2CCCCC2O[N+](=O)[O-]

InChI

InChI=1S/C22H36N3O7/c1-17(26)23(19-9-5-6-10-20(19)32-24(28)29)13-14-25(2,3)15-18(27)16-31-22-12-8-7-11-21(22)30-4/h7-8,11-12,18-20,27H,5-6,9-10,13-16H2,1-4H3/q+1