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

Systemtic Name: 4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoate Openeye Name: 4-[methyl-[2-(4-pyridyl)ethyl]ammonio]butanoate CAS Name: 4-[methyl(2-pyridin-4-ylethyl)ammonio]butanoate IUPAC Name: 4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoate Traditional Name: 4-[methyl-[2-(4-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=NC=C1

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-14(9-2-3-12(15)16)10-6-11-4-7-13-8-5-11/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,16)