8-bromanyl-2-prop-2-enyl-9H-pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 8-bromanyl-2-prop-2-enyl-9H-pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2-allyl-8-bromo-9H-pyrido[3,4-b]indol-2-ium bromide CAS Name: 8-bromo-2-prop-2-enyl-9H-pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 8-bromo-2-prop-2-enyl-9H-pyrido[3,4-b]indol-2-ium bromide Traditional Name: 2-allyl-8-bromo-9H-$b-carbolin-2-ium bromide Formula: C14H12Br2N2 MolecularWeight: 368.06648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CC2=C(C=C1)C3=C(N2)C(=CC=C3)Br.[Br-]

Isomeric SMILES

C=CC[N+]1=CC2=C(C=C1)C3=C(N2)C(=CC=C3)Br.[Br-]

InChI

InChI=1S/C14H11BrN2.BrH/c1-2-7-17-8-6-10-11-4-3-5-12(15)14(11)16-13(10)9-17;/h2-6,8-9H,1,7H2;1H