[2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl] ester Formula: C26H22NO3+ MolecularWeight: 396.45778

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H22NO3/c1-27-22(16-14-20-8-6-7-11-23(20)27)15-12-19-13-17-24(25(18-19)29-2)30-26(28)21-9-4-3-5-10-21/h3-18H,1-2H3/q+1/b15-12+