2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]methylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-5-methyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylidene]-5-methylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-benzylpiperidin-1-ium-4-yl)amino]methylene]-5-methyl-2-pyrazolin-3-one Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2CC[NH+](CC2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N5OS/c1-17-20(23(30)29(27-17)24-26-21-9-5-6-10-22(21)31-24)15-25-19-11-13-28(14-12-19)16-18-7-3-2-4-8-18/h2-10,15,19,25H,11-14,16H2,1H3/p+1