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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-[1-(p-tolylmethyl)piperidin-1-ium-4-yl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione CAS Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-ethyl-5-[1-(4-methylbenzyl)piperidin-1-ium-4-yl]-1H-pyrazolo[4,3-c]pyridine-3,6-quinone Formula: C28H30N5O2S+ MolecularWeight: 500.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=O)N1C3CC[NH+](CC3)CC4=CC=C(C=C4)C)NN(C2=O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CCC1=C2C(=CC(=O)N1C3CC[NH+](CC3)CC4=CC=C(C=C4)C)NN(C2=O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H29N5O2S/c1-3-23-26-22(30-33(27(26)35)28-29-21-6-4-5-7-24(21)36-28)16-25(34)32(23)20-12-14-31(15-13-20)17-19-10-8-18(2)9-11-19/h4-11,16,20,30H,3,12-15,17H2,1-2H3/p+1