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

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-(2-methoxyethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-(2-methoxyethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-(2-methoxyethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-(2-methoxyethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-5-(2-methoxyethyl)-4-methyl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-quinone Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CCOC)N[N+](=C3NC4=CC=CC=C4S3)C2=O

Isomeric SMILES

CC1=C2C(=CC(=O)N1CCOC)N[N+](=C3NC4=CC=CC=C4S3)C2=O

InChI

InChI=1S/C17H16N4O3S/c1-10-15-12(9-14(22)20(10)7-8-24-2)19-21(16(15)23)17-18-11-5-3-4-6-13(11)25-17/h3-6,9H,7-8H2,1-2H3,(H,19,22)/p+1