2-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(1R)-1-(4-bromophenyl)ethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-1-(4-bromophenyl)ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C13H21BrN3S+ MolecularWeight: 331.29494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=S)NCC[NH+](C)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C13H20BrN3S/c1-10(11-4-6-12(14)7-5-11)16-13(18)15-8-9-17(2)3/h4-7,10H,8-9H2,1-3H3,(H2,15,16,18)/p+1/t10-/m1/s1