4-methyl-2-(pyridin-1-ium-3-ylcarbonylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(pyridin-1-ium-3-ylcarbonylamino)pentanoic acid Openeye Name: 4-methyl-2-(pyridin-1-ium-3-carbonylamino)pentanoic acid CAS Name: 4-methyl-2-[[oxo(3-pyridin-1-iumyl)methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-(pyridin-1-ium-3-carbonylamino)pentanoic acid Traditional Name: 4-methyl-2-(pyridin-1-ium-3-carbonylamino)valeric acid Formula: C12H17N2O3+ MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C[NH+]=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C[NH+]=CC=C1

InChI

InChI=1S/C12H16N2O3/c1-8(2)6-10(12(16)17)14-11(15)9-4-3-5-13-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,14,15)(H,16,17)/p+1