(2-methylquinolin-1-ium-8-yl) 3-iodanylbenzoate

Systemtic Name: (2-methylquinolin-1-ium-8-yl) 3-iodanylbenzoate Openeye Name: (2-methylquinolin-1-ium-8-yl) 3-iodobenzoate CAS Name: 3-iodobenzoic acid (2-methyl-8-quinolin-1-iumyl) ester IUPAC Name: (2-methylquinolin-1-ium-8-yl) 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (2-methylquinolin-1-ium-8-yl) ester Formula: C17H13INO2+ MolecularWeight: 390.19509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)I)C=C1

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2OC(=O)C3=CC(=CC=C3)I)C=C1

InChI

InChI=1S/C17H12INO2/c1-11-8-9-12-4-3-7-15(16(12)19-11)21-17(20)13-5-2-6-14(18)10-13/h2-10H,1H3/p+1