N-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: N-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: N-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: N-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: N-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: N-butyl-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C20H34N3O5S+ MolecularWeight: 428.56606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H33N3O5S/c1-5-7-10-22(6-2)20(24)16-21-11-13-23(14-12-21)29(25,26)17-8-9-18(27-3)19(15-17)28-4/h8-9,15H,5-7,10-14,16H2,1-4H3/p+1