2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3OS2/c1-22-11-12-23(17(13-22)15-7-3-2-4-8-15)19(24)14-25-20-21-16-9-5-6-10-18(16)26-20/h2-10,17H,11-14H2,1H3/p+1/t17-/m0/s1