2-(1,3-benzothiazol-2-yl)-4-[[(1-methylpiperidin-1-ium-4-yl)amino]methylidene]-5-phenyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-methylpiperidin-1-ium-4-yl)amino]methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-methylpiperidin-1-ium-4-yl)amino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-methyl-4-piperidin-1-iumyl)amino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-methylpiperidin-1-ium-4-yl)amino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[(1-methylpiperidin-1-ium-4-yl)amino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c1-27-13-11-17(12-14-27)24-15-18-21(16-7-3-2-4-8-16)26-28(22(18)29)23-25-19-9-5-6-10-20(19)30-23/h2-10,15,17,24H,11-14H2,1H3/p+1