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

Systemtic Name: 2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzoate Openeye Name: 2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzoate CAS Name: 2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]benzoate IUPAC Name: 2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]benzoate Traditional Name: 2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]benzoate Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N3O3/c22-18(23)15-5-1-2-6-16(15)24-14-13-20-9-11-21(12-10-20)17-7-3-4-8-19-17/h1-8H,9-14H2,(H,22,23)