[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]-2-methoxy-phenyl] ester Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO3/c1-4-23-19(13-11-18-7-5-6-8-20(18)23)12-9-17-10-14-21(26-16(2)24)22(15-17)25-3/h5-15H,4H2,1-3H3/q+1/b12-9+