[2-methoxy-4-[(E)-2-(1-prop-2-enylquinolin-1-ium-2-yl)ethenyl]phenyl] ethanoate bromide

Systemtic Name: [2-methoxy-4-[(E)-2-(1-prop-2-enylquinolin-1-ium-2-yl)ethenyl]phenyl] ethanoate bromide Openeye Name: [4-[(E)-2-(1-allylquinolin-1-ium-2-yl)vinyl]-2-methoxy-phenyl] acetate bromide CAS Name: acetic acid [2-methoxy-4-[(E)-2-(1-prop-2-enyl-2-quinolin-1-iumyl)ethenyl]phenyl] ester bromide IUPAC Name: [2-methoxy-4-[(E)-2-(1-prop-2-enylquinolin-1-ium-2-yl)ethenyl]phenyl] acetate bromide Traditional Name: acetic acid [4-[(E)-2-(1-allylquinolin-1-ium-2-yl)vinyl]-2-methoxy-phenyl] ester bromide Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C=C2)CC=C)OC.[Br-]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C=C2)CC=C)OC.[Br-]

InChI

InChI=1S/C23H22NO3.BrH/c1-4-15-24-20(13-11-19-7-5-6-8-21(19)24)12-9-18-10-14-22(27-17(2)25)23(16-18)26-3;/h4-14,16H,1,15H2,2-3H3;1H/q+1;/p-1/b12-9+;