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

Systemtic Name: 2,2-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: 2,2-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: 2,2-dimethyl-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 2,2-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2,2-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionate Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C(=O)[O-]

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C(=O)[O-]

InChI

InChI=1S/C14H21N3O2/c1-14(2,13(18)19)11-16-7-9-17(10-8-16)12-5-3-4-6-15-12/h3-6H,7-11H2,1-2H3,(H,18,19)/p+1