2-[(4-phenylquinolin-1-ium-8-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: 2-[(4-phenylquinolin-1-ium-8-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: 2-[(4-phenylquinolin-1-ium-8-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: 2-[oxo-[(4-phenyl-8-quinolin-1-iumyl)amino]methyl]-3-bicyclo[2.2.1]hept-5-enecarboxylate IUPAC Name: 2-[(4-phenylquinolin-1-ium-8-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: 2-[(4-phenylquinolin-1-ium-8-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1C(C2C(=O)NC3=CC=CC4=C(C=C[NH+]=C43)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1C2C=CC1C(C2C(=O)NC3=CC=CC4=C(C=C[NH+]=C43)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C24H20N2O3/c27-23(20-15-9-10-16(13-15)21(20)24(28)29)26-19-8-4-7-18-17(11-12-25-22(18)19)14-5-2-1-3-6-14/h1-12,15-16,20-21H,13H2,(H,26,27)(H,28,29)