2-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate

Systemtic Name: 2-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate Openeye Name: 2-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)methoxy]benzoate IUPAC Name: 2-[(4-methylpiperazin-4-ium-1-yl)methoxy]benzoate Traditional Name: 2-[(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=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)COC2=CC=CC=C2C(=O)[O-]

InChI

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