ethyl (2S)-2-piperazine-1,4-diium-1-ylpropanoate

Systemtic Name: ethyl (2S)-2-piperazine-1,4-diium-1-ylpropanoate Openeye Name: ethyl (2S)-2-piperazine-1,4-diium-1-ylpropanoate CAS Name: (2S)-2-(1-piperazine-1,4-diiumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-piperazine-1,4-diium-1-ylpropanoate Traditional Name: (2S)-2-piperazine-1,4-diium-1-ylpropionic acid ethyl ester Formula: C9H20N2O2+2 MolecularWeight: 188.2673

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)[NH+]1CC[NH2+]CC1

Isomeric SMILES

CCOC(=O)[C@H](C)[NH+]1CC[NH2+]CC1

InChI

InChI=1S/C9H18N2O2/c1-3-13-9(12)8(2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3/p+2/t8-/m0/s1