(3S)-4-oxidanylidene-4-(2-phenoxyethoxy)-3-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (3S)-4-oxidanylidene-4-(2-phenoxyethoxy)-3-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (3S)-4-oxo-4-(2-phenoxyethoxy)-3-(3-pyridylmethylammonio)butanoate CAS Name: (3S)-4-oxo-4-(2-phenoxyethoxy)-3-(3-pyridinylmethylammonio)butanoate IUPAC Name: (3S)-4-oxo-4-(2-phenoxyethoxy)-3-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (3S)-4-keto-4-(2-phenoxyethoxy)-3-(3-pyridylmethylammonio)butyrate Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC(=O)C(CC(=O)[O-])[NH2+]CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)OCCOC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CN=CC=C2

InChI

InChI=1S/C18H20N2O5/c21-17(22)11-16(20-13-14-5-4-8-19-12-14)18(23)25-10-9-24-15-6-2-1-3-7-15/h1-8,12,16,20H,9-11,13H2,(H,21,22)/t16-/m0/s1