[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl] benzoate

Systemtic Name: [2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl] benzoate Openeye Name: [2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]phenyl] benzoate CAS Name: benzoic acid [2,6-dimethoxy-4-[(E)-2-(1-methyl-4-quinolin-1-iumyl)ethenyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]phenyl] benzoate Traditional Name: benzoic acid [2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)vinyl]phenyl] ester Formula: C27H24NO4+ MolecularWeight: 426.48376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC(=C(C(=C3)OC)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC(=C(C(=C3)OC)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H24NO4/c1-28-16-15-20(22-11-7-8-12-23(22)28)14-13-19-17-24(30-2)26(25(18-19)31-3)32-27(29)21-9-5-4-6-10-21/h4-18H,1-3H3/q+1/b14-13+