methyl 4-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H27ClN3O2S+ MolecularWeight: 384.94388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O2S/c1-24-17(23)3-2-10-20-18(25)21-16-8-11-22(12-9-16)13-14-4-6-15(19)7-5-14/h4-7,16H,2-3,8-13H2,1H3,(H2,20,21,25)/p+1