dimethyl-[3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]propyl]azanium Openeye Name: 3-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H32N4S+2 MolecularWeight: 336.53848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H30N4S/c1-21(2)12-6-11-19-18(23)20-17-9-13-22(14-10-17)15-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H2,19,20,23)/p+2