3-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate

Systemtic Name: 3-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate Openeye Name: 3-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)methoxy]benzoate IUPAC Name: 3-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)COC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)COC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-14-5-7-15(8-6-14)10-18-12-4-2-3-11(9-12)13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)