(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methylphenyl)propan-1-one

Systemtic Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methylphenyl)propan-1-one Openeye Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(4-methylphenyl)-1-propanone IUPAC Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methylphenyl)propan-1-one Traditional Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(p-tolyl)propan-1-one Formula: C17H21N2O+ MolecularWeight: 269.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H21N2O/c1-13-5-7-15(8-6-13)17(20)14(2)19-11-9-16(10-12-19)18(3)4/h5-12,14H,1-4H3/q+1/t14-/m0/s1