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

Systemtic Name: (2S)-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[methyl-[2-(4-pyridyl)ethyl]ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[methyl(2-pyridin-4-ylethyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[methyl-[2-(4-pyridyl)ethyl]ammonio]-2-phenyl-acetate Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2/c1-18(12-9-13-7-10-17-11-8-13)15(16(19)20)14-5-3-2-4-6-14/h2-8,10-11,15H,9,12H2,1H3,(H,19,20)/t15-/m0/s1