(3-chlorophenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Systemtic Name: (3-chlorophenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: (3-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: (3-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: (3-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: (3-chlorobenzyl)-[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C16H20ClN2OS+ MolecularWeight: 323.8608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H19ClN2OS/c1-12(15-7-4-8-21-15)18-16(20)11-19(2)10-13-5-3-6-14(17)9-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1