[4-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(1-methyl-4-pyridin-1-iumyl)ethynyl]phenyl] ester IUPAC Name: [4-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(1-methylpyridin-1-ium-4-yl)ethynyl]phenyl] ester Formula: C22H18NO2+ MolecularWeight: 328.38382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=[N+](C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=[N+](C=C3)C

InChI

InChI=1S/C22H18NO2/c1-17-3-9-20(10-4-17)22(24)25-21-11-7-18(8-12-21)5-6-19-13-15-23(2)16-14-19/h3-4,7-16H,1-2H3/q+1