(2S)-2-[4-[2-(4-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-[2-(4-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-[2-(4-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-ium-1-yl]propionate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C(C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-12-3-5-14(6-4-12)22-11-15(19)18-9-7-17(8-10-18)13(2)16(20)21/h3-6,13H,7-11H2,1-2H3,(H,20,21)/t13-/m0/s1