7-chloranyl-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C18H18ClN4O3+ MolecularWeight: 373.81352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H17ClN4O3/c19-12-3-4-13-14(10-12)20-16(21-17(13)24)11-22-5-7-23(8-6-22)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H,20,21,24)/p+1