dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium

Systemtic Name: dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium Openeye Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-[2-[(5-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium Formula: C21H34N3O6+ MolecularWeight: 424.51116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O6/c1-4-9-18-10-5-6-11-20(18)29-17-19(25)16-24(2,3)14-13-22-21(26)12-7-8-15-30-23(27)28/h4-6,10-11,19,25H,1,7-9,12-17H2,2-3H3/p+1