[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C20H22FN4O3+ MolecularWeight: 385.412083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C20H21FN4O3/c1-24(10-13-7-8-17(28-2)15(21)9-13)12-19-23-16-6-4-3-5-14(16)20(27)25(19)11-18(22)26/h3-9H,10-12H2,1-2H3,(H2,22,26)/p+1