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

Systemtic Name: [3-[(3-cyano-2-oxidanylidene-1H-quinolin-5-yl)oxy]-2-oxidanyl-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Openeye Name: [3-[(3-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium CAS Name: [3-[(3-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxypropyl]-dimethyl-[2-[(5-nitrooxy-1-oxopentyl)amino]ethyl]ammonium IUPAC Name: [3-[(3-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2-hydroxypropyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]azanium Traditional Name: [3-[(3-cyano-2-keto-1H-quinolin-5-yl)oxy]-2-hydroxy-propyl]-dimethyl-[2-(5-nitrooxypentanoylamino)ethyl]ammonium Formula: C22H30N5O7+ MolecularWeight: 476.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O7/c1-27(2,10-9-24-21(29)8-3-4-11-34-26(31)32)14-17(28)15-33-20-7-5-6-19-18(20)12-16(13-23)22(30)25-19/h5-7,12,17,28H,3-4,8-11,14-15H2,1-2H3,(H-,24,25,29,30)/p+1