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

Systemtic Name: [(1S)-2-[2-(3-ethanoylphenoxy)ethanoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(3-acetylphenoxy)acetyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(3-acetylphenoxy)-1-oxoethyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(3-acetylphenoxy)acetyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(3-acetylphenoxy)acetyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-15(24)17-6-5-7-19(12-17)27-14-21(25)22-13-20(23(2)3)16-8-10-18(26-4)11-9-16/h5-12,20H,13-14H2,1-4H3,(H,22,25)/p+1/t20-/m1/s1