methyl 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)acetate CAS Name: 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)acetate Traditional Name: 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)acetic acid methyl ester Formula: C28H24NO2+ MolecularWeight: 406.49566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24NO2/c1-31-27(30)19-29-26(22-13-6-3-7-14-22)18-25(20-10-4-2-5-11-20)24-17-16-21-12-8-9-15-23(21)28(24)29/h2-15,18H,16-17,19H2,1H3/q+1