dimethyl-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-[2-(4-nitrooxypentanoylamino)ethyl]azanium

Systemtic Name: dimethyl-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-[2-(4-nitrooxypentanoylamino)ethyl]azanium Openeye Name: [2-hydroxy-3-(1-naphthyloxy)propyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(1-naphthalenyloxy)propyl]-dimethyl-[2-[(4-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: (2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-(1-naphthoxy)propyl]-dimethyl-[2-(4-nitrooxypentanoylamino)ethyl]ammonium Formula: C22H32N3O6+ MolecularWeight: 434.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NCC[N+](C)(C)CC(COC1=CC=CC2=CC=CC=C21)O)O[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)NCC[N+](C)(C)CC(COC1=CC=CC2=CC=CC=C21)O)O[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O6/c1-17(31-24(28)29)11-12-22(27)23-13-14-25(2,3)15-19(26)16-30-21-10-6-8-18-7-4-5-9-20(18)21/h4-10,17,19,26H,11-16H2,1-3H3/p+1