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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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