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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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