[(1S)-1-(3-methoxyphenyl)-2-[2-(4-propanoylphenoxy)ethanoylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[2-(4-propanoylphenoxy)ethanoylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-methoxyphenyl)-2-[[2-(4-propionylphenoxy)acetyl]amino]ethyl]-dimethyl-ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-5-21(25)16-9-11-18(12-10-16)28-15-22(26)23-14-20(24(2)3)17-7-6-8-19(13-17)27-4/h6-13,20H,5,14-15H2,1-4H3,(H,23,26)/p+1/t20-/m1/s1