(2S)-2-piperazin-1-ium-1-ylbutanoate

Systemtic Name: (2S)-2-piperazin-1-ium-1-ylbutanoate Openeye Name: (2S)-2-piperazin-1-ium-1-ylbutanoate CAS Name: (2S)-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2S)-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2S)-2-piperazin-1-ium-1-ylbutyrate Formula: C8H16N2O2 MolecularWeight: 172.22484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16N2O2/c1-2-7(8(11)12)10-5-3-9-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1