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

Systemtic Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H29N3O2S+2 MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3O2S/c1-26-19-8-6-17(7-9-19)15-23-10-12-24(13-11-23)16-21(25)22-18-4-3-5-20(14-18)27-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+2