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

Systemtic Name: N-[(2S)-pentan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-pentan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-pentan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-6-7-18(5)21-19(24)14-22-8-10-23(11-9-22)27(25,26)20-16(3)12-15(2)13-17(20)4/h12-13,18H,6-11,14H2,1-5H3,(H,21,24)/p+1/t18-/m0/s1