2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C23H28N3O3S2+ MolecularWeight: 458.61672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3)OC)OC

InChI

InChI=1S/C23H27N3O3S2/c1-16-12-19(28-2)20(29-3)13-17(16)14-25-8-10-26(11-9-25)22(27)15-30-23-24-18-6-4-5-7-21(18)31-23/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1