2-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(5-bromo-2-methoxy-phenyl)methyl-methyl-carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(5-bromo-2-methoxyphenyl)methyl-methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(5-bromo-2-methoxyphenyl)methyl-methylcarbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(5-bromo-2-methoxy-benzyl)-methyl-thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C14H23BrN3OS+ MolecularWeight: 361.32092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N(C)CC1=C(C=CC(=C1)Br)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)N(C)CC1=C(C=CC(=C1)Br)OC

InChI

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