(1-oxidanyl-1-oxidanylidene-butan-2-yl)-(2-phenylquinazolin-4-yl)azanium chloride

Systemtic Name: (1-oxidanyl-1-oxidanylidene-butan-2-yl)-(2-phenylquinazolin-4-yl)azanium chloride Openeye Name: 1-carboxypropyl-(2-phenylquinazolin-4-yl)ammonium chloride CAS Name: (1-hydroxy-1-oxobutan-2-yl)-(2-phenyl-4-quinazolinyl)ammonium chloride IUPAC Name: (1-hydroxy-1-oxobutan-2-yl)-(2-phenylquinazolin-4-yl)azanium chloride Traditional Name: 1-carboxypropyl-(2-phenylquinazolin-4-yl)ammonium chloride Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2.ClH/c1-2-14(18(22)23)19-17-13-10-6-7-11-15(13)20-16(21-17)12-8-4-3-5-9-12;/h3-11,14H,2H2,1H3,(H,22,23)(H,19,20,21);1H