2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N3O/c1-16-14-20(17(2)24(16)19-8-6-5-7-9-19)21(25)15-23-12-10-18(11-13-23)22(3)4/h5-14H,15H2,1-4H3/q+1