ethyl 1-(4-chlorophenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Openeye Name: ethyl 1-(4-chlorophenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate CAS Name: 1-(4-chlorophenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorophenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-carboxylic acid ethyl ester Formula: C28H23ClNO2+ MolecularWeight: 440.94072

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClNO2/c1-2-32-28(31)26-18-25(19-8-4-3-5-9-19)24-17-12-20-10-6-7-11-23(20)27(24)30(26)22-15-13-21(29)14-16-22/h3-11,13-16,18H,2,12,17H2,1H3/q+1