6,8-bis(chloranyl)-3-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Openeye Name: 6,8-dichloro-3-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one CAS Name: 6,8-dichloro-3-(2-fluorophenyl)-2-(1-piperidin-1-iumylmethyl)-4-quinazolinone IUPAC Name: 6,8-dichloro-3-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Traditional Name: 6,8-dichloro-3-(2-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)quinazolin-4-one Formula: C20H19Cl2FN3O+ MolecularWeight: 407.288763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3C(=O)N2C4=CC=CC=C4F)Cl)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3C(=O)N2C4=CC=CC=C4F)Cl)Cl

InChI

InChI=1S/C20H18Cl2FN3O/c21-13-10-14-19(15(22)11-13)24-18(12-25-8-4-1-5-9-25)26(20(14)27)17-7-3-2-6-16(17)23/h2-3,6-7,10-11H,1,4-5,8-9,12H2/p+1