2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-N-(1-isopropylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-N-(1-propan-2-yl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-N-(1-isopropylpiperidin-1-ium-4-yl)acetamide Formula: C18H27FN3O2S+ MolecularWeight: 368.489283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN3O2S/c1-13(2)22-9-7-16(8-10-22)21-18(24)12-25-11-17(23)20-15-5-3-14(19)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,20,23)(H,21,24)/p+1