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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4OS/c1-19(2)11-9-17-16(22)18-12-13-5-7-14(8-6-13)20-10-3-4-15(20)21/h5-8H,3-4,9-12H2,1-2H3,(H2,17,18,22)/p+1