7-chloranyl-2-[[(7-chloranyl-4-oxidanidyl-quinazolin-2-yl)methyl-(3-methoxypropyl)azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[(7-chloranyl-4-oxidanidyl-quinazolin-2-yl)methyl-(3-methoxypropyl)azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[(7-chloro-4-oxido-quinazolin-2-yl)methyl-(3-methoxypropyl)ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[(7-chloro-4-oxido-2-quinazolinyl)methyl-(3-methoxypropyl)ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[(7-chloro-4-oxidoquinazolin-2-yl)methyl-(3-methoxypropyl)azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[(7-chloro-4-oxido-quinazolin-2-yl)methyl-(3-methoxypropyl)ammonio]methyl]quinazolin-4-olate Formula: C22H20Cl2N5O3- MolecularWeight: 473.3319

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

COCCC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C22H21Cl2N5O3/c1-32-8-2-7-29(11-19-25-17-9-13(23)3-5-15(17)21(30)27-19)12-20-26-18-10-14(24)4-6-16(18)22(31)28-20/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,25,27,30)(H,26,28,31)/p-1