(2S)-2-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]propanoate IUPAC Name: (2S)-2-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]propionate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-12(16(21)22)17-15(20)13(2)18-8-10-19(11-9-18)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20)(H,21,22)/t12-,13-/m0/s1