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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-5-phenyl-2-pyrazolin-3-one Formula: C22H23N6OS+ MolecularWeight: 419.52262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6OS/c1-26-11-13-27(14-12-26)23-15-17-20(16-7-3-2-4-8-16)25-28(21(17)29)22-24-18-9-5-6-10-19(18)30-22/h2-10,15,23H,11-14H2,1H3/p+1