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

Systemtic Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C18H27N4S2+ MolecularWeight: 363.56378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4S2/c1-21(2)11-6-10-19-18(23)22-12-5-7-14(13-22)17-20-15-8-3-4-9-16(15)24-17/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,19,23)/p+1/t14-/m1/s1