2-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate CAS Name: 2-[3-(4-methyl-1-piperazin-4-iumyl)propoxy]benzoate IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzoate Traditional Name: 2-[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=C2C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

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