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

Systemtic Name: dimethyl-[3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-(2-oxo-1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamothioylamino]propyl]azanium Traditional Name: 3-[[4-(2-ketopyrrolidino)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C16H24N4OS/c1-19(2)11-4-10-17-16(22)18-13-6-8-14(9-7-13)20-12-3-5-15(20)21/h6-9H,3-5,10-12H2,1-2H3,(H2,17,18,22)/p+1