(2S)-2-[[(2R)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-ethanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[(2R)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-ethanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2R)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-acetyl]amino]propanoate CAS Name: (2S)-2-[[(2R)-2-(4-methyl-1-piperazin-1-iumyl)-1-oxo-2-phenylethyl]amino]propanoate IUPAC Name: (2S)-2-[[(2R)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenylacetyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-acetyl]amino]propionate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C

InChI

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