N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-methoxyphenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-methoxyphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-mesylpiperazin-1-ium-1-yl)-N-(4-methoxyphenyl)acetamide Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O4S/c1-21-13-5-3-12(4-6-13)15-14(18)11-16-7-9-17(10-8-16)22(2,19)20/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1