2-(1,3-benzothiazol-2-yl)-4-methyl-5-(piperidin-1-ium-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(piperidin-1-ium-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(piperidin-1-ium-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(4-piperidin-1-iumylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(piperidin-1-ium-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-methyl-5-(piperidin-1-ium-4-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-quinone Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CC3CC[NH2+]CC3)NN(C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2C(=CC(=O)N1CC3CC[NH2+]CC3)NN(C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H21N5O2S/c1-12-18-15(10-17(26)24(12)11-13-6-8-21-9-7-13)23-25(19(18)27)20-22-14-4-2-3-5-16(14)28-20/h2-5,10,13,21,23H,6-9,11H2,1H3/p+1