[(2S)-1-(3,4-dimethylphenyl)-3-(5-ethanoyl-2-methoxy-phenyl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-3-(5-ethanoyl-2-methoxy-phenyl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[(5-acetyl-2-methoxy-phenyl)methyl]-2-(3,4-dimethylphenyl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-3-(5-acetyl-2-methoxyphenyl)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-3-(5-acetyl-2-methoxyphenyl)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-(5-acetyl-2-methoxy-benzyl)-2-(3,4-dimethylphenyl)-2-keto-ethyl]-dimethyl-ammonium Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(CC2=C(C=CC(=C2)C(=O)C)OC)[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](CC2=C(C=CC(=C2)C(=O)C)OC)[NH+](C)C)C

InChI

InChI=1S/C22H27NO3/c1-14-7-8-18(11-15(14)2)22(25)20(23(4)5)13-19-12-17(16(3)24)9-10-21(19)26-6/h7-12,20H,13H2,1-6H3/p+1/t20-/m0/s1