2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H25N4S2+ MolecularWeight: 349.5372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H24N4S2/c1-20(2)11-9-18-17(22)21-10-5-6-13(12-21)16-19-14-7-3-4-8-15(14)23-16/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)/p+1/t13-/m1/s1