dimethyl-[3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamothioylamino]propyl]azanium Traditional Name: 3-[[4-(2-ketopyrrolidino)benzyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H27N4OS+ MolecularWeight: 335.48748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C17H26N4OS/c1-20(2)11-4-10-18-17(23)19-13-14-6-8-15(9-7-14)21-12-3-5-16(21)22/h6-9H,3-5,10-13H2,1-2H3,(H2,18,19,23)/p+1