3-[[4-[(4-bromanylphenoxy)methyl]phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4-bromanylphenoxy)methyl]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-bromophenoxy)methyl]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-bromophenoxy)methyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-bromophenoxy)methyl]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(4-bromophenoxy)methyl]phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H25BrN3OS+ MolecularWeight: 423.3903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H24BrN3OS/c1-23(2)13-3-12-21-19(25)22-17-8-4-15(5-9-17)14-24-18-10-6-16(20)7-11-18/h4-11H,3,12-14H2,1-2H3,(H2,21,22,25)/p+1