3-[[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3R)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(5R)-3,5-diphenyl-2-pyrazoline-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1[C@H](CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-24(2)15-9-14-22-21(26)25-20(18-12-7-4-8-13-18)16-19(23-25)17-10-5-3-6-11-17/h3-8,10-13,20H,9,14-16H2,1-2H3,(H,22,26)/p+1/t20-/m1/s1