6-bromanyl-3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]quinazolin-4-one Openeye Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-6-bromo-quinazolin-4-one CAS Name: 6-bromo-3-[[3-(phenylmethyl)-1H-imidazol-3-ium-2-yl]methyl]-4-quinazolinone IUPAC Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-6-bromoquinazolin-4-one Traditional Name: 3-[(3-benzyl-1H-imidazol-3-ium-2-yl)methyl]-6-bromo-quinazolin-4-one Formula: C19H16BrN4O+ MolecularWeight: 396.26054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C19H15BrN4O/c20-15-6-7-17-16(10-15)19(25)24(13-22-17)12-18-21-8-9-23(18)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2/p+1