(2S)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(1-oxo-3-phenylpropyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(3-phenylpropanoyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-(4-hydrocinnamoylpiperazin-1-ium-1-yl)propionate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3/c1-13(16(20)21)17-9-11-18(12-10-17)15(19)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,21)/t13-/m0/s1