N-[(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)-(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: N-[(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)-(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide Openeye Name: N-[(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)-(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide CAS Name: N-[(5-chloro-8-hydroxy-7-quinolin-1-iumyl)-(3,4-dimethoxyphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: N-[(5-chloro-8-hydroxyquinolin-1-ium-7-yl)-(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide Traditional Name: N-[(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)-(3,4-dimethoxyphenyl)methyl]nicotinamide Formula: C24H21ClN3O4+ MolecularWeight: 450.89424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C3C=CC=[NH+]C3=C2O)Cl)NC(=O)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C3C=CC=[NH+]C3=C2O)Cl)NC(=O)C4=CN=CC=C4)OC

InChI

InChI=1S/C24H20ClN3O4/c1-31-19-8-7-14(11-20(19)32-2)21(28-24(30)15-5-3-9-26-13-15)17-12-18(25)16-6-4-10-27-22(16)23(17)29/h3-13,21,29H,1-2H3,(H,28,30)/p+1