(2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide

Systemtic Name: (2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide Openeye Name: (2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide CAS Name: (2R)-2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethylpropanamide Traditional Name: (2R)-2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propionamide Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5S/c1-13(17(21)18(2)3)19-8-10-20(11-9-19)26(22,23)14-6-7-15(24-4)16(12-14)25-5/h6-7,12-13H,8-11H2,1-5H3/p+1/t13-/m1/s1