[4-[[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(4-keto-4-p-phenetyl-butanoyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)C[NH+](C)C

InChI

InChI=1S/C22H28N2O3/c1-4-27-20-11-9-19(10-12-20)21(25)13-14-22(26)23-15-17-5-7-18(8-6-17)16-24(2)3/h5-12H,4,13-16H2,1-3H3,(H,23,26)/p+1