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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-[3-(4-morpholin-4-iumyl)propylamino]ethylidene]-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-[1-(3-morpholin-4-ium-4-ylpropylamino)ethylidene]-2-pyrazolin-3-one Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NCCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H25N5O2S/c1-14(21-8-5-9-24-10-12-27-13-11-24)18-15(2)23-25(19(18)26)20-22-16-6-3-4-7-17(16)28-20/h3-4,6-7,21H,5,8-13H2,1-2H3/p+1