2-[[4-[3,5-bis(chloranyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[3,5-bis(chloranyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,5-dichloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(3,5-dichloro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,5-dichloropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3,5-dichloro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C18H18Cl2N5O+ MolecularWeight: 391.27442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=C(C=C(C=N4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=C(C=C(C=N4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N5O/c19-12-9-14(20)17(21-10-12)25-7-5-24(6-8-25)11-16-22-15-4-2-1-3-13(15)18(26)23-16/h1-4,9-10H,5-8,11H2,(H,22,23,26)/p+1