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

Systemtic Name: 6,8-bis(bromanyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,8-dibromo-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,8-dibromo-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 6,8-dibromo-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6,8-dibromo-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C17H17Br2N4O3S2+ MolecularWeight: 549.27988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16Br2N4O3S2/c18-11-8-12-16(13(19)9-11)20-14(21-17(12)24)10-22-3-5-23(6-4-22)28(25,26)15-2-1-7-27-15/h1-2,7-9H,3-6,10H2,(H,20,21,24)/p+1