2-(4-chloranylphenoxy)ethyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C17H22ClN2O2S+ MolecularWeight: 353.88678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O2S/c1-13(16-4-3-11-23-16)19-17(21)12-20(2)9-10-22-15-7-5-14(18)6-8-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1