3-(4-fluorophenyl)-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O/c1-15-6-4-5-13-24(15)14-20-23-19-8-3-2-7-18(19)21(26)25(20)17-11-9-16(22)10-12-17/h2-3,7-12,15H,4-6,13-14H2,1H3/p+1/t15-/m1/s1