ethyl (2S)-2-piperazin-4-ium-1-ylpropanoate

Systemtic Name: ethyl (2S)-2-piperazin-4-ium-1-ylpropanoate Openeye Name: ethyl (2S)-2-piperazin-4-ium-1-ylpropanoate CAS Name: (2S)-2-(1-piperazin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-piperazin-4-ium-1-ylpropanoate Traditional Name: (2S)-2-piperazin-4-ium-1-ylpropionic acid ethyl ester Formula: C9H19N2O2+ MolecularWeight: 187.25936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CC[NH2+]CC1

Isomeric SMILES

CCOC(=O)[C@H](C)N1CC[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+1/t8-/m0/s1