2-[4-[[(2S)-2-(3-chloranylphenoxy)propanoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-[[(2S)-2-(3-chloranylphenoxy)propanoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[(2S)-2-(3-chlorophenoxy)-1-oxopropyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-4-25(5-2)13-14-28-22(27)17-9-11-19(12-10-17)24-21(26)16(3)29-20-8-6-7-18(23)15-20/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,24,26)/p+1/t16-/m0/s1