dimethyl-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]ethyl]azanium Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H30N4S+2 MolecularWeight: 322.5119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4S/c1-20(2)13-10-18-17(22)19-16-8-11-21(12-9-16)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H2,18,19,22)/p+2