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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H21N3O2/c1-11-16(13(3)21)12(2)18-17(11)15(22)10-20-8-6-14(7-9-20)19(4)5/h6-9H,10H2,1-5H3/p+1