(2S)-2-methyl-3-(4-propylsulfonylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: (2S)-2-methyl-3-(4-propylsulfonylpiperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-methyl-3-(4-propylsulfonylpiperazin-1-ium-1-yl)propanoate CAS Name: (2S)-2-methyl-3-(4-propylsulfonyl-1-piperazin-1-iumyl)propanoate IUPAC Name: (2S)-2-methyl-3-(4-propylsulfonylpiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-methyl-3-(4-propylsulfonylpiperazin-1-ium-1-yl)propionate Formula: C11H22N2O4S MolecularWeight: 278.36838

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC(C)C(=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)C[C@H](C)C(=O)[O-]

InChI

InChI=1S/C11H22N2O4S/c1-3-8-18(16,17)13-6-4-12(5-7-13)9-10(2)11(14)15/h10H,3-9H2,1-2H3,(H,14,15)/t10-/m0/s1