2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-[3-(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=C3)SC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC)OC)OC

InChI

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