6-chloranyl-2-(phenylmethyl)-9H-pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 6-chloranyl-2-(phenylmethyl)-9H-pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2-benzyl-6-chloro-9H-pyrido[3,4-b]indol-2-ium bromide CAS Name: 6-chloro-2-(phenylmethyl)-9H-pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 2-benzyl-6-chloro-9H-pyrido[3,4-b]indol-2-ium bromide Traditional Name: 2-benzyl-6-chloro-9H-$b-carbolin-2-ium bromide Formula: C18H14BrClN2 MolecularWeight: 373.67416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C4=C(N3)C=CC(=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C4=C(N3)C=CC(=C4)Cl.[Br-]

InChI

InChI=1S/C18H13ClN2.BrH/c19-14-6-7-17-16(10-14)15-8-9-21(12-18(15)20-17)11-13-4-2-1-3-5-13;/h1-10,12H,11H2;1H