methyl (4S)-1-methyl-4-phenyl-3,4-dihydropyridin-1-ium-5-carboxylate

Systemtic Name: methyl (4S)-1-methyl-4-phenyl-3,4-dihydropyridin-1-ium-5-carboxylate Openeye Name: methyl (4S)-1-methyl-4-phenyl-3,4-dihydropyridin-1-ium-5-carboxylate CAS Name: (4S)-1-methyl-4-phenyl-3,4-dihydropyridin-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-methyl-4-phenyl-3,4-dihydropyridin-1-ium-5-carboxylate Traditional Name: (4S)-1-methyl-4-phenyl-3,4-dihydropyridin-1-ium-5-carboxylic acid methyl ester Formula: C14H16NO2+ MolecularWeight: 230.28234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CCC(C(=C1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC[C@H](C(=C1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C14H16NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,9-10,12H,8H2,1-2H3/q+1/t12-/m0/s1