3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCCC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCCC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N5OS/c1-4-8-15-14(13-20-11-7-12-23(2)3)18(25)24(22-15)19-21-16-9-5-6-10-17(16)26-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3/p+1/t14-/m1/s1