[(1S)-2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(3,4-dimethylphenyl)-4-oxo-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[4-(3,4-dimethylphenyl)-1,4-dioxobutyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(3,4-dimethylphenyl)-4-keto-butanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)C

InChI

InChI=1S/C22H28N2O2/c1-16-10-11-19(14-17(16)2)21(25)12-13-22(26)23-15-20(24(3)4)18-8-6-5-7-9-18/h5-11,14,20H,12-13,15H2,1-4H3,(H,23,26)/p+1/t20-/m1/s1