dimethyl-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiocarbamoylamino]propyl]ammonium Formula: C18H32N4S+2 MolecularWeight: 336.53848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCC1=CC=C(C=C1)C[NH+]2CCCC2

InChI

InChI=1S/C18H30N4S/c1-21(2)11-5-10-19-18(23)20-14-16-6-8-17(9-7-16)15-22-12-3-4-13-22/h6-9H,3-5,10-15H2,1-2H3,(H2,19,20,23)/p+2