2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H21ClFN4O+ MolecularWeight: 387.858343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H20ClFN4O/c21-16-5-3-6-17(22)15(16)12-25-8-10-26(11-9-25)13-19-23-18-7-2-1-4-14(18)20(27)24-19/h1-7H,8-13H2,(H,23,24,27)/p+1