[2-[[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[4-(2,5-dimethylphenyl)-4-oxo-butanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[4-(2,5-dimethylphenyl)-1,4-dioxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[4-(2,5-dimethylphenyl)-4-keto-butanoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

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