(2S)-2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]propanoate

Systemtic Name: (2S)-2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]propanoate Openeye Name: (2S)-2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]amino]propanoate IUPAC Name: (2S)-2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanoylamino]propanoate Traditional Name: (2S)-2-[3-(4-pyridin-1-ium-2-ylpiperazino)propanoylamino]propionate Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCN1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CCN1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C15H22N4O3/c1-12(15(21)22)17-14(20)5-7-18-8-10-19(11-9-18)13-4-2-3-6-16-13/h2-4,6,12H,5,7-11H2,1H3,(H,17,20)(H,21,22)/t12-/m0/s1