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

Systemtic Name: 2-[ethanoyl-(2-nitrooxycyclohexyl)amino]ethyl-dimethyl-[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]azanium Openeye Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-dimethylammonium IUPAC Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]-dimethylazanium Traditional Name: 2-[acetyl-(2-nitrooxycyclohexyl)amino]ethyl-[3-(2-allyloxyphenoxy)-2-hydroxy-propyl]-dimethyl-ammonium Formula: C24H38N3O7+ MolecularWeight: 480.57442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC=C1OCC=C)O)C2CCCCC2O[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(CC[N+](C)(C)CC(COC1=CC=CC=C1OCC=C)O)C2CCCCC2O[N+](=O)[O-]

InChI

InChI=1S/C24H38N3O7/c1-5-16-32-23-12-8-9-13-24(23)33-18-20(29)17-27(3,4)15-14-25(19(2)28)21-10-6-7-11-22(21)34-26(30)31/h5,8-9,12-13,20-22,29H,1,6-7,10-11,14-18H2,2-4H3/q+1