2-[[(1R)-1-(3-bromanyl-4-methoxy-phenyl)ethyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1R)-1-(3-bromanyl-4-methoxy-phenyl)ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-1-(3-bromo-4-methoxy-phenyl)ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H23BrN3OS+ MolecularWeight: 361.32092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrN3OS/c1-10(17-14(20)16-7-8-18(2)3)11-5-6-13(19-4)12(15)9-11/h5-6,9-10H,7-8H2,1-4H3,(H2,16,17,20)/p+1/t10-/m1/s1