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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H28N3O/c1-18-16-22(19(2)26(18)15-10-20-8-6-5-7-9-20)23(27)17-25-13-11-21(12-14-25)24(3)4/h5-9,11-14,16H,10,15,17H2,1-4H3/q+1