3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionate Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2/c16-12(17)4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17)/p+1