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

Systemtic Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one Openeye Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one CAS Name: (2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(4-methoxyphenyl)-1-propanone IUPAC Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one Traditional Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O2/c1-13(19-11-9-15(10-12-19)18(2)3)17(20)14-5-7-16(21-4)8-6-14/h5-13H,1-4H3/q+1/t13-/m0/s1