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

Systemtic Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-azanium bromide Openeye Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-ammonium bromide CAS Name: 2-(2,3-dimethyl-6-indolo[3,2-b]quinoxalinyl)ethyl-dimethyl-propylammonium bromide IUPAC Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propylazanium bromide Traditional Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-propyl-ammonium bromide Formula: C46H58BrN8+ MolecularWeight: 802.91032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H29N4.BrH/c2*1-6-12-27(4,5)13-11-26-21-10-8-7-9-18(21)22-23(26)25-20-15-17(3)16(2)14-19(20)24-22;/h2*7-10,14-15H,6,11-13H2,1-5H3;1H/q2*+1;/p-1