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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-5-propyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylene]-5-propyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[2-(4-morpholin-4-iumyl)ethylamino]methylidene]-5-propyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylidene]-5-propylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-morpholin-4-ium-4-ylethylamino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

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