ethyl 4-oxidanyl-2-phenyl-isoquinolin-2-ium-3-carboxylate

Systemtic Name: ethyl 4-oxidanyl-2-phenyl-isoquinolin-2-ium-3-carboxylate Openeye Name: ethyl 4-hydroxy-2-phenyl-isoquinolin-2-ium-3-carboxylate CAS Name: 4-hydroxy-2-phenyl-3-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-phenylisoquinolin-2-ium-3-carboxylate Traditional Name: 4-hydroxy-2-phenyl-isoquinolin-2-ium-3-carboxylic acid ethyl ester Formula: C18H16NO3+ MolecularWeight: 294.32454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C=[N+]1C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C=[N+]1C3=CC=CC=C3)O

InChI

InChI=1S/C18H15NO3/c1-2-22-18(21)16-17(20)15-11-7-6-8-13(15)12-19(16)14-9-4-3-5-10-14/h3-12H,2H2,1H3/p+1