3-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[2-(3-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(=CC=C1)OCC(=O)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

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

InChI

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