1,3-benzothiazol-2-ylmethyl-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]-methyl-ammonium Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H22N4O2S/c1-21(2)20(27)23-14-8-4-6-10-16(14)25(21)19(26)13-24(3)12-18-22-15-9-5-7-11-17(15)28-18/h4-11H,12-13H2,1-3H3,(H,23,27)/p+1