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

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-morpholino-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-(4-morpholinyl)-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-dione Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-methyl-5-morpholino-1H-pyrazolo[4,3-c]pyridin-2-ium-3,6-quinone Formula: C18H18N5O3S+ MolecularWeight: 384.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1N3CCOCC3)N[N+](=C4NC5=CC=CC=C5S4)C2=O

Isomeric SMILES

CC1=C2C(=CC(=O)N1N3CCOCC3)N[N+](=C4NC5=CC=CC=C5S4)C2=O

InChI

InChI=1S/C18H17N5O3S/c1-11-16-13(10-15(24)23(11)21-6-8-26-9-7-21)20-22(17(16)25)18-19-12-4-2-3-5-14(12)27-18/h2-5,10H,6-9H2,1H3,(H,20,24)/p+1