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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-5-phenyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-5-phenyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[1-[3-(4-morpholin-4-iumyl)propylamino]ethylidene]-5-phenyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-5-phenylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-5-phenyl-2-pyrazolin-3-one Formula: C25H28N5O2S+ MolecularWeight: 462.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCCC[NH+]5CCOCC5

Isomeric SMILES

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)NCCC[NH+]5CCOCC5

InChI

InChI=1S/C25H27N5O2S/c1-18(26-12-7-13-29-14-16-32-17-15-29)22-23(19-8-3-2-4-9-19)28-30(24(22)31)25-27-20-10-5-6-11-21(20)33-25/h2-6,8-11,26H,7,12-17H2,1H3/p+1