methyl (2S)-2-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanoate Openeye Name: methyl (2S)-2-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetate CAS Name: (2S)-2-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetate Traditional Name: (2S)-2-phenyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetic acid methyl ester Formula: C20H22NO2+ MolecularWeight: 308.39418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-23-20(22)19(18-10-6-3-7-11-18)21-14-12-17(13-15-21)16-8-4-2-5-9-16/h2-12,19H,13-15H2,1H3/p+1/t19-/m0/s1