2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-methylpropyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-methylpropyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-isobutyl-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-methylpropyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(2-methylpropyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-isobutyl-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-quinone Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CC(C)C)N[N+](=C3NC4=CC=CC=C4S3)C2=O

Isomeric SMILES

CC1=C2C(=CC(=O)N1CC(C)C)N[N+](=C3NC4=CC=CC=C4S3)C2=O

InChI

InChI=1S/C18H18N4O2S/c1-10(2)9-21-11(3)16-13(8-15(21)23)20-22(17(16)24)18-19-12-6-4-5-7-14(12)25-18/h4-8,10H,9H2,1-3H3,(H,20,23)/p+1