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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC2=CC=CC=C21)O

Isomeric SMILES

C[N+](C)(CCCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC2=CC=CC=C21)O

InChI

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