6,8-bis(bromanyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C18H19Br2N5O+2 MolecularWeight: 481.18436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H17Br2N5O/c19-12-9-13-17(14(20)10-12)22-15(23-18(13)26)11-24-5-7-25(8-6-24)16-3-1-2-4-21-16/h1-4,9-10H,5-8,11H2,(H,22,23,26)/p+2