2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzoate IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzoate Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)benzoate Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H17N3O2/c20-16(21)13-5-1-2-6-14(13)18-9-11-19(12-10-18)15-7-3-4-8-17-15/h1-8H,9-12H2,(H,20,21)