1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methylsulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methylsulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methylsulfanyl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(methylthio)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methylsulfanylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(methylthio)ethanone Formula: C15H20N3OS2+ MolecularWeight: 322.4688

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CSCC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H19N3OS2/c1-20-11-15(19)18-8-6-17(7-9-18)10-14-16-12-4-2-3-5-13(12)21-14/h2-5H,6-11H2,1H3/p+1