[(1S)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H22BrN2S+ MolecularWeight: 354.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)Br)NC[C@@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C16H21BrN2S/c1-12(13-6-4-7-14(17)10-13)18-11-15(19(2)3)16-8-5-9-20-16/h4-10,12,15,18H,11H2,1-3H3/p+1/t12-,15-/m0/s1