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

Systemtic Name: [3-(2-cyanophenoxy)-2-oxidanyl-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Openeye Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-[(5-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: [3-(2-cyanophenoxy)-2-hydroxypropyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [3-(2-cyanophenoxy)-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium Formula: C19H29N4O6+ MolecularWeight: 409.45676

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=C1C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O6/c1-23(2,11-10-21-19(25)9-5-6-12-29-22(26)27)14-17(24)15-28-18-8-4-3-7-16(18)13-20/h3-4,7-8,17,24H,5-6,9-12,14-15H2,1-2H3/p+1