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

Systemtic Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[1-(1,3-benzothiazol-2-yl)-5-keto-3-phenyl-2-pyrazolin-4-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-26(2)14-8-13-23-15-17-20(16-9-4-3-5-10-16)25-27(21(17)28)22-24-18-11-6-7-12-19(18)29-22/h3-7,9-12,15,17H,8,13-14H2,1-2H3/p+1