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

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C19H32N3O5S+ MolecularWeight: 414.53948

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C19H31N3O5S/c1-4-9-20-19(23)15-21-10-12-22(13-11-21)28(24,25)16-7-8-17(26-5-2)18(14-16)27-6-3/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,20,23)/p+1