2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C18H27ClN3O2S+ MolecularWeight: 384.94388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H26ClN3O2S/c1-2-9-22-10-7-16(8-11-22)21-18(24)13-25-12-17(23)20-15-5-3-14(19)4-6-15/h3-6,16H,2,7-13H2,1H3,(H,20,23)(H,21,24)/p+1