3-(2-azanyl-5-bromanyl-phenyl)-1-(phenylmethyl)-3H-quinoxalin-1-ium-2-one

Systemtic Name: 3-(2-azanyl-5-bromanyl-phenyl)-1-(phenylmethyl)-3H-quinoxalin-1-ium-2-one Openeye Name: 3-(2-amino-5-bromo-phenyl)-1-benzyl-3H-quinoxalin-1-ium-2-one CAS Name: 3-(2-amino-5-bromophenyl)-1-(phenylmethyl)-3H-quinoxalin-1-ium-2-one IUPAC Name: 3-(2-amino-5-bromophenyl)-1-benzyl-3H-quinoxalin-1-ium-2-one Traditional Name: 3-(2-amino-5-bromo-phenyl)-1-benzyl-3H-quinoxalin-1-ium-2-one Formula: C21H17BrN3O+ MolecularWeight: 407.28318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C=CC=CC3=NC(C2=O)C4=C(C=CC(=C4)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C=CC=CC3=NC(C2=O)C4=C(C=CC(=C4)Br)N

InChI

InChI=1S/C21H17BrN3O/c22-15-10-11-17(23)16(12-15)20-21(26)25(13-14-6-2-1-3-7-14)19-9-5-4-8-18(19)24-20/h1-12,20H,13,23H2/q+1