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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinolin-1-ium-4-carboxamide Openeye Name: 2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-methyl-quinolin-1-ium-4-carboxamide CAS Name: 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methyl-4-quinolin-1-iumcarboxamide IUPAC Name: 2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium-4-carboxamide Traditional Name: 2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1-methyl-quinolin-1-ium-4-carboxamide Formula: C20H19N2O3+ MolecularWeight: 335.37646

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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

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)N)/C=C/C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C20H18N2O3/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)/p+1