(2S)-3-methyl-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2S)-3-methyl-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2S)-3-methyl-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2S)-3-methyl-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2S)-3-methyl-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2S)-3-methyl-2-piperazin-1-ium-1-yl-butyrate Formula: C9H18N2O2 MolecularWeight: 186.25142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCNCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCNCC1

InChI

InChI=1S/C9H18N2O2/c1-7(2)8(9(12)13)11-5-3-10-4-6-11/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m0/s1