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

Systemtic Name: 3-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]benzoate CAS Name: 3-[3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propoxy]benzoate IUPAC Name: 3-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-pyridin-1-ium-2-ylpiperazino)propoxy]benzoate Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC(=C2)C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N3O3/c23-19(24)16-5-3-6-17(15-16)25-14-4-9-21-10-12-22(13-11-21)18-7-1-2-8-20-18/h1-3,5-8,15H,4,9-14H2,(H,23,24)