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

Systemtic Name: (2S)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(1-oxo-3-phenoxypropyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]propionate Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(=O)CCOC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O4/c1-13(16(20)21)17-8-10-18(11-9-17)15(19)7-12-22-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,21)/t13-/m0/s1