[3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]azanium

Systemtic Name: [3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-[(3-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]ammonium Formula: C18H27N4O6+ MolecularWeight: 395.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC[N+](C)(C)CC(COC1=CC=CC=C1C#N)O)O[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)NCC[N+](C)(C)CC(COC1=CC=CC=C1C#N)O)O[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O6/c1-14(28-21(25)26)10-18(24)20-8-9-22(2,3)12-16(23)13-27-17-7-5-4-6-15(17)11-19/h4-7,14,16,23H,8-10,12-13H2,1-3H3/p+1