ethyl 4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate

Systemtic Name: ethyl 4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Openeye Name: ethyl 4-phenyl-1-(2-pyridyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate CAS Name: 4-phenyl-1-(2-pyridinyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Traditional Name: 4-phenyl-1-(2-pyridyl)-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylic acid ethyl ester Formula: C27H23N2O2+ MolecularWeight: 407.48372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=C(CCC3=CC=CC=C32)C(=C1)C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=[N+](C2=C(CCC3=CC=CC=C32)C(=C1)C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H23N2O2/c1-2-31-27(30)24-18-23(19-10-4-3-5-11-19)22-16-15-20-12-6-7-13-21(20)26(22)29(24)25-14-8-9-17-28-25/h3-14,17-18H,2,15-16H2,1H3/q+1