[(2S)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(4-keto-4-p-phenetyl-butanoyl)amino]-2-phenyl-ethyl]-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)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-4-27-19-12-10-18(11-13-19)21(25)14-15-22(26)23-20(16-24(2)3)17-8-6-5-7-9-17/h5-13,20H,4,14-16H2,1-3H3,(H,23,26)/p+1/t20-/m1/s1