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

Systemtic Name: dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium Openeye Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-[2-[(3-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(3-nitrooxybutanoylamino)ethyl]ammonium Formula: C20H32N3O6+ MolecularWeight: 410.48458

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC[N+](C)(C)CC(COC1=CC=CC=C1CC=C)O)O[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)NCC[N+](C)(C)CC(COC1=CC=CC=C1CC=C)O)O[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O6/c1-5-8-17-9-6-7-10-19(17)28-15-18(24)14-23(3,4)12-11-21-20(25)13-16(2)29-22(26)27/h5-7,9-10,16,18,24H,1,8,11-15H2,2-4H3/p+1