1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-1-oxidanylidene-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-1-oxo-2H-furo[3,4-d]pyridazin-7-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[(1-keto-4,5-dimethyl-2H-furo[3,4-d]pyridazin-7-yl)amino]ethyl]-methyl-ammonium Formula: C19H20N5O3S+ MolecularWeight: 398.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C2C(=NNC(=O)C2=C(O1)NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H19N5O3S/c1-10-16-11(2)27-19(17(16)18(26)23-22-10)21-14(25)8-24(3)9-15-20-12-6-4-5-7-13(12)28-15/h4-7H,8-9H2,1-3H3,(H,21,25)(H,23,26)/p+1