(2R)-N,N-dimethyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N,N-dimethyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N,N-dimethyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N,N-dimethyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N,N-dimethyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N,N-dimethyl-propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-13-11-14(2)17(15(3)12-13)25(23,24)21-9-7-20(8-10-21)16(4)18(22)19(5)6/h11-12,16H,7-10H2,1-6H3/p+1/t16-/m1/s1