[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-cyclopropyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C21H22FN4O2+ MolecularWeight: 381.423383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)F)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)F)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C21H21FN4O2/c22-15-7-5-14(6-8-15)11-25(16-9-10-16)13-20-24-18-4-2-1-3-17(18)21(28)26(20)12-19(23)27/h1-8,16H,9-13H2,(H2,23,27)/p+1