methyl 2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]acetic acid methyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C[NH+]1CCC(=CC1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)C[NH+]1CCC(=CC1)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3/c1-21-16(20)11-17-15(19)12-18-9-7-14(8-10-18)13-5-3-2-4-6-13/h2-7H,8-12H2,1H3,(H,17,19)/p+1