[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[2-(methylthio)phenyl]methanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

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