3-(3-azaniumyl-1H-isoquinolin-2-yl)benzoate

Systemtic Name: 3-(3-azaniumyl-1H-isoquinolin-2-yl)benzoate Openeye Name: 3-(3-azaniumyl-1H-isoquinolin-2-yl)benzoate CAS Name: 3-(3-ammonio-1H-isoquinolin-2-yl)benzoate IUPAC Name: 3-(3-azaniumyl-1H-isoquinolin-2-yl)benzoate Traditional Name: 3-(3-ammonio-1H-isoquinolin-2-yl)benzoate Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C=C(N1C3=CC=CC(=C3)C(=O)[O-])[NH3+]

Isomeric SMILES

C1C2=CC=CC=C2C=C(N1C3=CC=CC(=C3)C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H14N2O2/c17-15-9-11-4-1-2-5-13(11)10-18(15)14-7-3-6-12(8-14)16(19)20/h1-9H,10,17H2,(H,19,20)