2-[2-azanyl-3-(1,3-benzothiazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-azanyl-3-(1,3-benzothiazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-3-(1,3-benzothiazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(1,3-benzothiazol-2-yl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(1,3-benzothiazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-amino-3-(1,3-benzothiazol-2-yl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-ammonium Formula: C21H21N6S+ MolecularWeight: 389.49664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C[NH+](C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C21H20N6S/c1-26(2)11-12-27-19(22)17(21-25-15-9-5-6-10-16(15)28-21)18-20(27)24-14-8-4-3-7-13(14)23-18/h3-10H,11-12,22H2,1-2H3/p+1