3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate

Systemtic Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate Openeye Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate CAS Name: 3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]propanoate IUPAC Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propanoate Traditional Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]propionate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2CCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2CCC(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-15-8-10-16(11-9-15)13-5-3-2-4-12(13)6-7-14(17)18/h2-5H,6-11H2,1H3,(H,17,18)