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

Systemtic Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide Openeye Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propanamide CAS Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethylpropanamide Traditional Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-dimethyl-propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)N(C)C)C

InChI

InChI=1S/C17H27N3O3S/c1-13-6-7-16(14(2)12-13)24(22,23)20-10-8-19(9-11-20)15(3)17(21)18(4)5/h6-7,12,15H,8-11H2,1-5H3/p+1/t15-/m1/s1