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

Systemtic Name: (2R)-2-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Openeye Name: (2R)-2-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate CAS Name: (2R)-2-methyl-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2R)-2-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoate Traditional Name: (2R)-2-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionate Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-11(13(17)18)10-15-6-8-16(9-7-15)12-4-2-3-5-14-12/h2-5,11H,6-10H2,1H3,(H,17,18)/p+1/t11-/m1/s1