N-[(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)-(2-methoxyphenyl)methyl]-4-methoxy-benzamide

Systemtic Name: N-[(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)-(2-methoxyphenyl)methyl]-4-methoxy-benzamide Openeye Name: N-[(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)-(2-methoxyphenyl)methyl]-4-methoxy-benzamide CAS Name: N-[(5-chloro-8-hydroxy-7-quinolin-1-iumyl)-(2-methoxyphenyl)methyl]-4-methoxybenzamide IUPAC Name: N-[(5-chloro-8-hydroxyquinolin-1-ium-7-yl)-(2-methoxyphenyl)methyl]-4-methoxybenzamide Traditional Name: N-[(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)-(2-methoxyphenyl)methyl]-4-methoxy-benzamide Formula: C25H22ClN2O4+ MolecularWeight: 449.90618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2OC)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2OC)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

InChI

InChI=1S/C25H21ClN2O4/c1-31-16-11-9-15(10-12-16)25(30)28-22(18-6-3-4-8-21(18)32-2)19-14-20(26)17-7-5-13-27-23(17)24(19)29/h3-14,22,29H,1-2H3,(H,28,30)/p+1