3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-ylthio)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-1-(4-benzylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H24N3OS2+ MolecularWeight: 398.56476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c25-20(10-15-26-21-22-18-8-4-5-9-19(18)27-21)24-13-11-23(12-14-24)16-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1