2-(9-bromanyl-2,3-dimethyl-indolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-azanium bromide

Systemtic Name: 2-(9-bromanyl-2,3-dimethyl-indolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-azanium bromide Openeye Name: 2-(9-bromo-2,3-dimethyl-indolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-ammonium bromide CAS Name: 2-(9-bromo-2,3-dimethyl-6-indolo[3,2-b]quinoxalinyl)ethyl-dimethyl-propylammonium bromide IUPAC Name: 2-(9-bromo-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium bromide Traditional Name: 2-(9-bromo-2,3-dimethyl-indolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-ammonium bromide Formula: C46H56Br3N8+ MolecularWeight: 960.70244

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Br)C3=NC4=C(C=C(C(=C4)C)C)N=C31.CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Br)C3=NC4=C(C=C(C(=C4)C)C)N=C31.[Br-]

Isomeric SMILES

CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Br)C3=NC4=C(C=C(C(=C4)C)C)N=C31.CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Br)C3=NC4=C(C=C(C(=C4)C)C)N=C31.[Br-]

InChI

InChI=1S/2C23H28BrN4.BrH/c2*1-6-10-28(4,5)11-9-27-21-8-7-17(24)14-18(21)22-23(27)26-20-13-16(3)15(2)12-19(20)25-22;/h2*7-8,12-14H,6,9-11H2,1-5H3;1H/q2*+1;/p-1