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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylene]-5-phenyl-2-pyrazolin-3-one Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCNC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H23N5O2S/c29-22-18(16-24-10-11-27-12-14-30-15-13-27)21(17-6-2-1-3-7-17)26-28(22)23-25-19-8-4-5-9-20(19)31-23/h1-9,16,24H,10-15H2/p+1