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

Systemtic Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-methyl-pyridin-1-ium CAS Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1-methylpyridin-1-ium Traditional Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-methyl-pyridin-1-ium Formula: C20H21N2+ MolecularWeight: 289.39414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=CC=CC=[N+]3C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=CC=CC=[N+]3C

InChI

InChI=1S/C20H21N2/c1-16-15-18(12-13-19-9-7-8-14-21(19)3)17(2)22(16)20-10-5-4-6-11-20/h4-15H,1-3H3/q+1