ethyl 1-[(2S)-butan-2-yl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-[(2S)-butan-2-yl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-[(1S)-1-methylpropyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylate CAS Name: 1-[(2S)-butan-2-yl]-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-butan-2-yl]-4,6-diphenylpyridin-1-ium-2-carboxylate Traditional Name: 1-[(1S)-1-methylpropyl]-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C24H26NO2+ MolecularWeight: 360.46874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[N+]1=C(C=C(C=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H26NO2/c1-4-18(3)25-22(20-14-10-7-11-15-20)16-21(19-12-8-6-9-13-19)17-23(25)24(26)27-5-2/h6-18H,4-5H2,1-3H3/q+1/t18-/m0/s1