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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O7/c1-14(31-23(28)29)11-20(27)21-9-10-24(2,3)12-15(25)13-30-18-6-4-5-17-16(18)7-8-19(26)22-17/h4-8,14-15,25H,9-13H2,1-3H3,(H-,21,22,26,27)/p+1