2-[4-[3-(dimethylazaniumyl)propylamino]quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-[3-(dimethylazaniumyl)propylamino]quinazolin-2-yl]phenolate Openeye Name: 2-[4-[3-(dimethylammonio)propylamino]quinazolin-2-yl]phenolate CAS Name: 2-[4-[3-(dimethylammonio)propylamino]-2-quinazolinyl]phenolate IUPAC Name: 2-[4-[3-(dimethylazaniumyl)propylamino]quinazolin-2-yl]phenolate Traditional Name: 2-[4-[3-(dimethylammonio)propylamino]quinazolin-2-yl]phenolate Formula: C19H22N4O MolecularWeight: 322.40418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3[O-]

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3[O-]

InChI

InChI=1S/C19H22N4O/c1-23(2)13-7-12-20-18-14-8-3-5-10-16(14)21-19(22-18)15-9-4-6-11-17(15)24/h3-6,8-11,24H,7,12-13H2,1-2H3,(H,20,21,22)