cyclohexyl-[(4-fluorophenyl)methyl]-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: cyclohexyl-[(4-fluorophenyl)methyl]-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: cyclohexyl-[(4-fluorophenyl)methyl]-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: cyclohexyl-[(4-fluorophenyl)methyl]-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: cyclohexyl-[(4-fluorophenyl)methyl]-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (7-carbomethoxy-4-keto-1H-quinazolin-2-yl)methyl-cyclohexyl-(4-fluorobenzyl)ammonium Formula: C24H27FN3O3+ MolecularWeight: 424.487883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+](CC3=CC=C(C=C3)F)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+](CC3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C24H26FN3O3/c1-31-24(30)17-9-12-20-21(13-17)26-22(27-23(20)29)15-28(19-5-3-2-4-6-19)14-16-7-10-18(25)11-8-16/h7-13,19H,2-6,14-15H2,1H3,(H,26,27,29)/p+1