2-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinolin-1-ium-4-carboxamide iodide

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinolin-1-ium-4-carboxamide iodide Openeye Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-methyl-quinolin-1-ium-4-carboxamide iodide CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methyl-4-quinolin-1-iumcarboxamide iodide IUPAC Name: 2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium-4-carboxamide iodide Traditional Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-methyl-quinolin-1-ium-4-carboxamide iodide Formula: C20H19IN2O3 MolecularWeight: 462.28093

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)N)C=CC3=CC(=C(C=C3)O)OC.[I-]

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)N)C=CC3=CC(=C(C=C3)O)OC.[I-]

InChI

InChI=1S/C20H18N2O3.HI/c1-22-14(9-7-13-8-10-18(23)19(11-13)25-2)12-16(20(21)24)15-5-3-4-6-17(15)22;/h3-12H,1-2H3,(H2,21,24);1H