2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: N-(3-mesylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O4S/c1-27-18-7-4-6-17(14-18)23-11-9-22(10-12-23)15-20(24)21-16-5-3-8-19(13-16)28(2,25)26/h3-8,13-14H,9-12,15H2,1-2H3,(H,21,24)/p+1