2-(5-azanyl-3-oxidanylidene-1-phenethyl-1,2-dihydropyrrol-1-ium-4-yl)-1H-quinazolin-4-one

Systemtic Name: 2-(5-azanyl-3-oxidanylidene-1-phenethyl-1,2-dihydropyrrol-1-ium-4-yl)-1H-quinazolin-4-one Openeye Name: 2-(5-amino-3-oxo-1-phenethyl-1,2-dihydropyrrol-1-ium-4-yl)-1H-quinazolin-4-one CAS Name: 2-(5-amino-3-oxo-1-phenethyl-1,2-dihydropyrrol-1-ium-4-yl)-1H-quinazolin-4-one IUPAC Name: 2-(5-amino-3-oxo-1-phenethyl-1,2-dihydropyrrol-1-ium-4-yl)-1H-quinazolin-4-one Traditional Name: 2-(2-amino-4-keto-1-phenethyl-2-pyrrolin-1-ium-3-yl)-1H-quinazolin-4-one Formula: C20H19N4O2+ MolecularWeight: 347.39046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C([NH+]1CCC2=CC=CC=C2)N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C([NH+]1CCC2=CC=CC=C2)N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O2/c21-18-17(19-22-15-9-5-4-8-14(15)20(26)23-19)16(25)12-24(18)11-10-13-6-2-1-3-7-13/h1-9H,10-12,21H2,(H,22,23,26)/p+1