4-bromanyl-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid

Systemtic Name: 4-bromanyl-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid Openeye Name: 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid CAS Name: 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid IUPAC Name: 4-bromo-2-(9H-pyrido[3,4-b]indol-2-ium-2-yl)benzoic acid Traditional Name: 2-(9H-$b-carbolin-2-ium-2-yl)-4-bromo-benzoic acid Formula: C18H12BrN2O2+ MolecularWeight: 368.20408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C=[N+](C=C3)C4=C(C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C=[N+](C=C3)C4=C(C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C18H11BrN2O2/c19-11-5-6-14(18(22)23)17(9-11)21-8-7-13-12-3-1-2-4-15(12)20-16(13)10-21/h1-10H,(H,22,23)/p+1