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

Systemtic Name: 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H31ClN4S+2 MolecularWeight: 370.98354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN4S/c1-22(2)11-3-10-20-18(24)21-17-8-12-23(13-9-17)14-15-4-6-16(19)7-5-15/h4-7,17H,3,8-14H2,1-2H3,(H2,20,21,24)/p+2