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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butyrate Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=O)[O-])C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=O)[O-])C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H19N3O2/c17-13(18)5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-2,4,6H,3,5,7-11H2,(H,17,18)/p+1