1-(5-chloranyl-2-nitro-phenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 1-(5-chloranyl-2-nitro-phenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2-allyl-1-(5-chloro-2-nitro-phenyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide CAS Name: 1-(5-chloro-2-nitrophenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 1-(5-chloro-2-nitrophenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide Traditional Name: 2-allyl-1-(5-chloro-2-nitro-phenyl)-4,9-dihydro-3H-$b-carbolin-2-ium bromide Formula: C20H17BrClN3O2 MolecularWeight: 446.72488

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(C2=C(CC1)C3=CC=CC=C3N2)C4=C(C=CC(=C4)Cl)[N+](=O)[O-].[Br-]

Isomeric SMILES

C=CC[N+]1=C(C2=C(CC1)C3=CC=CC=C3N2)C4=C(C=CC(=C4)Cl)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H16ClN3O2.BrH/c1-2-10-23-11-9-15-14-5-3-4-6-17(14)22-19(15)20(23)16-12-13(21)7-8-18(16)24(25)26;/h2-8,12H,1,9-11H2;1H