4-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]-1-methyl-pyridin-1-ium

Systemtic Name: 4-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 4-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-1-methyl-pyridin-1-ium CAS Name: 4-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]ethenyl]-1-methylpyridin-1-ium IUPAC Name: 4-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethenyl]-1-methylpyridin-1-ium Traditional Name: 4-[(E)-2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-1-methyl-pyridin-1-ium Formula: C21H21N2O2+ MolecularWeight: 333.40364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=CC4=CC=[N+](C=C4)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C/C4=CC=[N+](C=C4)C

InChI

InChI=1S/C21H21N2O2/c1-15-12-18(5-4-17-8-10-22(3)11-9-17)16(2)23(15)19-6-7-20-21(13-19)25-14-24-20/h4-13H,14H2,1-3H3/q+1