2-[4-(butan-2-ylazaniumyl)quinazolin-2-yl]phenolate

Systemtic Name: 2-[4-(butan-2-ylazaniumyl)quinazolin-2-yl]phenolate Openeye Name: 2-[4-(sec-butylammonio)quinazolin-2-yl]phenolate CAS Name: 2-[4-(butan-2-ylammonio)-2-quinazolinyl]phenolate IUPAC Name: 2-[4-(butan-2-ylazaniumyl)quinazolin-2-yl]phenolate Traditional Name: 2-[4-(sec-butylammonio)quinazolin-2-yl]phenolate Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3[O-]

Isomeric SMILES

CCC(C)[NH2+]C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3[O-]

InChI

InChI=1S/C18H19N3O/c1-3-12(2)19-17-13-8-4-6-10-15(13)20-18(21-17)14-9-5-7-11-16(14)22/h4-12,22H,3H2,1-2H3,(H,19,20,21)