methyl 5,7,8a-triphenyl-1,2,3,8-tetrahydroindolizin-4-ium-1-carboxylate

Systemtic Name: methyl 5,7,8a-triphenyl-1,2,3,8-tetrahydroindolizin-4-ium-1-carboxylate Openeye Name: methyl 5,7,8a-triphenyl-1,2,3,8-tetrahydroindolizin-4-ium-1-carboxylate CAS Name: 5,7,8a-triphenyl-1,2,3,8-tetrahydroindolizin-4-ium-1-carboxylic acid methyl ester IUPAC Name: methyl 5,7,8a-triphenyl-1,2,3,8-tetrahydroindolizin-4-ium-1-carboxylate Traditional Name: 5,7,8a-triphenyl-1,2,3,8-tetrahydroindolizin-4-ium-1-carboxylic acid methyl ester Formula: C28H26NO2+ MolecularWeight: 408.51154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[N+]2=C(C=C(CC12C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CC[N+]2=C(C=C(CC12C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26NO2/c1-31-27(30)25-17-18-29-26(22-13-7-3-8-14-22)19-23(21-11-5-2-6-12-21)20-28(25,29)24-15-9-4-10-16-24/h2-16,19,25H,17-18,20H2,1H3/q+1