[(E)-2-[5-methoxy-3-(4-methylphenyl)carbonyl-1-benzofuran-2-yl]ethenyl]-dimethyl-azanium

Systemtic Name: [(E)-2-[5-methoxy-3-(4-methylphenyl)carbonyl-1-benzofuran-2-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-[5-methoxy-3-(4-methylbenzoyl)benzofuran-2-yl]vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[5-methoxy-3-[(4-methylphenyl)-oxomethyl]-2-benzofuranyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-[5-methoxy-3-(4-methylbenzoyl)-1-benzofuran-2-yl]ethenyl]-dimethylazanium Traditional Name: [(E)-2-(5-methoxy-3-p-toluoyl-benzofuran-2-yl)vinyl]-dimethyl-ammonium Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)OC)C=C[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C=C3)OC)/C=C/[NH+](C)C

InChI

InChI=1S/C21H21NO3/c1-14-5-7-15(8-6-14)21(23)20-17-13-16(24-4)9-10-18(17)25-19(20)11-12-22(2)3/h5-13H,1-4H3/p+1/b12-11+