2-[[2-methyl-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]amino]ethanoate

Systemtic Name: 2-[[2-methyl-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]amino]ethanoate Openeye Name: 2-[[2-methyl-2-[methyl-[2-(4-pyridyl)ethyl]ammonio]propanoyl]amino]acetate CAS Name: 2-[[2-methyl-2-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[2-methyl-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]amino]acetate Traditional Name: 2-[[2-methyl-2-[methyl-[2-(4-pyridyl)ethyl]ammonio]propanoyl]amino]acetate Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC(=O)[O-])[NH+](C)CCC1=CC=NC=C1

Isomeric SMILES

CC(C)(C(=O)NCC(=O)[O-])[NH+](C)CCC1=CC=NC=C1

InChI

InChI=1S/C14H21N3O3/c1-14(2,13(20)16-10-12(18)19)17(3)9-6-11-4-7-15-8-5-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,16,20)(H,18,19)