4-[methyl(2-pyridin-2-ylethyl)azaniumyl]butanoate

Systemtic Name: 4-[methyl(2-pyridin-2-ylethyl)azaniumyl]butanoate Openeye Name: 4-[methyl-[2-(2-pyridyl)ethyl]ammonio]butanoate CAS Name: 4-[methyl-[2-(2-pyridinyl)ethyl]ammonio]butanoate IUPAC Name: 4-[methyl(2-pyridin-2-ylethyl)azaniumyl]butanoate Traditional Name: 4-[methyl-[2-(2-pyridyl)ethyl]ammonio]butyrate Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC(=O)[O-])CCC1=CC=CC=N1

Isomeric SMILES

C[NH+](CCCC(=O)[O-])CCC1=CC=CC=N1

InChI

InChI=1S/C12H18N2O2/c1-14(9-4-6-12(15)16)10-7-11-5-2-3-8-13-11/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,15,16)