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

Systemtic Name: 2-(9-chloranylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-azanium bromide Openeye Name: 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-ammonium bromide CAS Name: 2-(9-chloro-6-indolo[3,2-b]quinoxalinyl)ethyl-dimethyl-propylammonium bromide IUPAC Name: 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium bromide Traditional Name: 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-ammonium bromide Formula: C42H48BrCl2N8+ MolecularWeight: 815.69412

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31.CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31.[Br-]

Isomeric SMILES

CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31.CCC[N+](C)(C)CCN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31.[Br-]

InChI

InChI=1S/2C21H24ClN4.BrH/c2*1-4-12-26(2,3)13-11-25-19-10-9-15(22)14-16(19)20-21(25)24-18-8-6-5-7-17(18)23-20;/h2*5-10,14H,4,11-13H2,1-3H3;1H/q2*+1;/p-1