ethyl 4-(isoquinolin-2-ium-2-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-(isoquinolin-2-ium-2-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(isoquinolin-2-ium-2-carbonylamino)benzoate CAS Name: 4-[[2-isoquinolin-2-iumyl(oxo)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(isoquinolin-2-ium-2-carbonylamino)benzoate Traditional Name: 4-(isoquinolin-2-ium-2-carbonylamino)benzoic acid ethyl ester Formula: C19H17N2O3+ MolecularWeight: 321.34988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H16N2O3/c1-2-24-18(22)15-7-9-17(10-8-15)20-19(23)21-12-11-14-5-3-4-6-16(14)13-21/h3-13H,2H2,1H3/p+1