4-(2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-1-yl)benzoate

Systemtic Name: 4-(2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-1-yl)benzoate Openeye Name: 4-(2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-1-yl)benzoate CAS Name: 4-(2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-1-yl)benzoate IUPAC Name: 4-(2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-1-yl)benzoate Traditional Name: 4-(2,4-diphenyl-5,6,7,8-tetrahydroquinolin-1-ium-1-yl)benzoate Formula: C28H23NO2 MolecularWeight: 405.48772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC(=[N+]2C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=CC(=[N+]2C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23NO2/c30-28(31)22-15-17-23(18-16-22)29-26-14-8-7-13-24(26)25(20-9-3-1-4-10-20)19-27(29)21-11-5-2-6-12-21/h1-6,9-12,15-19H,7-8,13-14H2