dimethyl-[3-[(7-methyl-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-[2-(4-nitrooxybutanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[3-[(7-methyl-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-[2-(4-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [2-hydroxy-3-[(7-methyl-2-oxo-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-[(7-methyl-2-oxo-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-[(7-methyl-2-oxo-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-[(2-keto-7-methyl-1H-quinolin-5-yl)oxy]propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C21H31N4O7+ MolecularWeight: 451.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=O)N2)C(=C1)OCC(C[N+](C)(C)CCNC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=CC(=O)N2)C(=C1)OCC(C[N+](C)(C)CCNC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C21H30N4O7/c1-15-11-18-17(6-7-21(28)23-18)19(12-15)31-14-16(26)13-25(2,3)9-8-22-20(27)5-4-10-32-24(29)30/h6-7,11-12,16,26H,4-5,8-10,13-14H2,1-3H3,(H-,22,23,27,28)/p+1