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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[2-(4-propanoylphenoxy)ethanoylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(4-propionylphenoxy)acetyl]amino]ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-4-20(24)17-10-12-18(13-11-17)26-15-21(25)22-14-19(23(2)3)16-8-6-5-7-9-16/h5-13,19H,4,14-15H2,1-3H3,(H,22,25)/p+1/t19-/m1/s1