4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)