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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H26N3O/c1-17-14-21(18(2)25(17)15-19-8-6-5-7-9-19)22(26)16-24-12-10-20(11-13-24)23(3)4/h5-14H,15-16H2,1-4H3/q+1