(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C16H20BrN2OS+ MolecularWeight: 368.3118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2OS/c1-12(15-4-3-9-21-15)18-16(20)11-19(2)10-13-5-7-14(17)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)/p+1/t12-/m1/s1