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

Systemtic Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-cyclohexyl-azanium Openeye Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyleneamino]propyl-cyclohexyl-ammonium CAS Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-cyclohexylammonium IUPAC Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methylideneamino]propyl-cyclohexylazanium Traditional Name: 3-[[(4R)-1-(1,3-benzothiazol-2-yl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyleneamino]propyl-cyclohexyl-ammonium Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCCC[NH2+]C2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCCC[NH2+]C2CCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H31N5OS/c1-2-9-19-18(16-24-14-8-15-25-17-10-4-3-5-11-17)22(29)28(27-19)23-26-20-12-6-7-13-21(20)30-23/h6-7,12-13,16-18,25H,2-5,8-11,14-15H2,1H3/p+1/t18-/m1/s1