(2S)-3-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate

Systemtic Name: (2S)-3-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate Openeye Name: (2S)-3-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate CAS Name: (2S)-3-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: (2S)-3-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanoate Traditional Name: (2S)-3-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butyrate Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-11(2)13(14(18)19)17-9-7-16(8-10-17)12-5-3-4-6-15-12/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1