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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H29N3O3S/c1-6-19-18(22)16(5)20-7-9-21(10-8-20)25(23,24)17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3,(H,19,22)/p+1/t16-/m0/s1