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

Systemtic Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H29ClN4S+2 MolecularWeight: 356.95696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN4S/c1-21(2)12-9-19-17(23)20-16-7-10-22(11-8-16)13-14-3-5-15(18)6-4-14/h3-6,16H,7-13H2,1-2H3,(H2,19,20,23)/p+2