2-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=C(C=C2)CC(=O)[O-]

InChI

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