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

Systemtic Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-methyl-1-piperazin-4-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-16-7-9-17(10-8-16)6-3-11-20-14-5-2-4-13(12-14)15(18)19/h2,4-5,12H,3,6-11H2,1H3,(H,18,19)