dimethyl-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-[2-(5-nitrooxypentanoylamino)ethyl]azanium

Systemtic Name: dimethyl-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-[2-(5-nitrooxypentanoylamino)ethyl]azanium Openeye Name: [2-hydroxy-3-(1-naphthyloxy)propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(1-naphthalenyloxy)propyl]-dimethyl-[2-[(5-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: (2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-(1-naphthoxy)propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium Formula: C22H32N3O6+ MolecularWeight: 434.50598

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)CCCCO[N+](=O)[O-])CC(COC1=CC=CC2=CC=CC=C21)O

Isomeric SMILES

C[N+](C)(CCNC(=O)CCCCO[N+](=O)[O-])CC(COC1=CC=CC2=CC=CC=C21)O

InChI

InChI=1S/C22H31N3O6/c1-25(2,14-13-23-22(27)12-5-6-15-31-24(28)29)16-19(26)17-30-21-11-7-9-18-8-3-4-10-20(18)21/h3-4,7-11,19,26H,5-6,12-17H2,1-2H3/p+1