2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-pentyl-azanium bromide

Systemtic Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-pentyl-azanium bromide Openeye Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-pentyl-ammonium bromide CAS Name: 2-(2,3-dimethyl-6-indolo[3,2-b]quinoxalinyl)ethyl-dimethyl-pentylammonium bromide IUPAC Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-pentylazanium bromide Traditional Name: amyl-[2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl]-dimethyl-ammonium bromide Formula: C50H66BrN8+ MolecularWeight: 859.01664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(C)CCN1C2=CC=CC=C2C3=NC4=C(C=C(C(=C4)C)C)N=C31.CCCCC[N+](C)(C)CCN1C2=CC=CC=C2C3=NC4=C(C=C(C(=C4)C)C)N=C31.[Br-]

Isomeric SMILES

CCCCC[N+](C)(C)CCN1C2=CC=CC=C2C3=NC4=C(C=C(C(=C4)C)C)N=C31.CCCCC[N+](C)(C)CCN1C2=CC=CC=C2C3=NC4=C(C=C(C(=C4)C)C)N=C31.[Br-]

InChI

InChI=1S/2C25H33N4.BrH/c2*1-6-7-10-14-29(4,5)15-13-28-23-12-9-8-11-20(23)24-25(28)27-22-17-19(3)18(2)16-21(22)26-24;/h2*8-9,11-12,16-17H,6-7,10,13-15H2,1-5H3;1H/q2*+1;/p-1