2-[4-(3-methoxypropyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-(3-methoxypropyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(3-methoxypropyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(3-methoxypropyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(3-methoxypropyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(3-methoxypropyl)piperazin-4-ium-1-yl]benzoate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

COCCC[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

InChI

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