2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC)OCC

InChI

InChI=1S/C17H27N3O5S/c1-4-24-15-7-6-14(12-16(15)25-5-2)26(22,23)20-10-8-19(9-11-20)13-17(21)18-3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,18,21)/p+1