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

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methoxy]benzoate Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methoxy]benzoate CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methoxy]benzoate IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methoxy]benzoate Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazino)methoxy]benzoate Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1COC2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1COC2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3O3/c21-17(22)14-5-1-2-6-15(14)23-13-19-9-11-20(12-10-19)16-7-3-4-8-18-16/h1-8H,9-13H2,(H,21,22)