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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H31N3O3S+2 MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC)OC

InChI

InChI=1S/C22H29N3O3S/c1-27-19-9-8-17(14-20(19)28-2)15-24-10-12-25(13-11-24)16-22(26)23-18-6-4-5-7-21(18)29-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)/p+2