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

Systemtic Name: (2S)-3-(4-butylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propanoate Openeye Name: (2S)-3-(4-butylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propanoate CAS Name: (2S)-3-(4-butylsulfonyl-1-piperazin-1-iumyl)-2-methylpropanoate IUPAC Name: (2S)-3-(4-butylsulfonylpiperazin-1-ium-1-yl)-2-methylpropanoate Traditional Name: (2S)-3-(4-butylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propionate Formula: C12H24N2O4S MolecularWeight: 292.39496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4S/c1-3-4-9-19(17,18)14-7-5-13(6-8-14)10-11(2)12(15)16/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1