dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]-[2-oxidanyl-3-[(2-oxidanylidene-1H-quinolin-5-yl)oxy]propyl]azanium

Systemtic Name: dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]-[2-oxidanyl-3-[(2-oxidanylidene-1H-quinolin-5-yl)oxy]propyl]azanium Openeye Name: [2-hydroxy-3-[(2-oxo-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-[(2-oxo-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-[(2-oxo-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-[(2-keto-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C20H29N4O7+ MolecularWeight: 437.46686

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC2=C1C=CC(=O)N2)O

Isomeric SMILES

C[N+](C)(CCNC(=O)CCCO[N+](=O)[O-])CC(COC1=CC=CC2=C1C=CC(=O)N2)O

InChI

InChI=1S/C20H28N4O7/c1-24(2,11-10-21-19(26)7-4-12-31-23(28)29)13-15(25)14-30-18-6-3-5-17-16(18)8-9-20(27)22-17/h3,5-6,8-9,15,25H,4,7,10-14H2,1-2H3,(H-,21,22,26,27)/p+1