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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

InChI

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