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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-methyl-pyridin-1-ium chloride CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-1-methylpyridin-1-ium chloride IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-1-methylpyridin-1-ium chloride Traditional Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-1-methyl-pyridin-1-ium chloride Formula: C20H21ClN2 MolecularWeight: 324.84714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2.ClH/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;1H/q+1;/p-1