dimethyl-[2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiocarbamoylamino]ethyl]ammonium Formula: C17H30N4S+2 MolecularWeight: 322.5119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4S/c1-20(2)12-9-18-17(22)19-13-15-5-7-16(8-6-15)14-21-10-3-4-11-21/h5-8H,3-4,9-14H2,1-2H3,(H2,18,19,22)/p+2