7-chloranyl-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]quinazolin-4-one Openeye Name: 7-chloro-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]quinazolin-4-one CAS Name: 7-chloro-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-4-quinazolinone IUPAC Name: 7-chloro-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]quinazolin-4-one Traditional Name: 7-chloro-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]quinazolin-4-one Formula: C13H12ClN4O+ MolecularWeight: 275.71358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=CN(C2=O)CCC3=C[NH+]=CN3

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=CN(C2=O)CCC3=C[NH+]=CN3

InChI

InChI=1S/C13H11ClN4O/c14-9-1-2-11-12(5-9)17-8-18(13(11)19)4-3-10-6-15-7-16-10/h1-2,5-8H,3-4H2,(H,15,16)/p+1