2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C23H33N3O3S+2 MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC)OC)OC

InChI

InChI=1S/C23H31N3O3S/c1-17-13-20(28-2)21(29-3)14-18(17)15-25-9-11-26(12-10-25)16-23(27)24-19-7-5-6-8-22(19)30-4/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,24,27)/p+2