2-[4-[2-(diphenylmethyl)sulfanylethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(diphenylmethyl)sulfanylethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(2-benzhydrylsulfanylacetyl)amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(2-benzhydrylsulfanylacetyl)amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(benzhydrylthio)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C28H32N3O2S+ MolecularWeight: 474.63758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2S/c32-26(29-24-14-8-3-9-15-24)20-31-18-16-25(17-19-31)30-27(33)21-34-28(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25,28H,16-21H2,(H,29,32)(H,30,33)/p+1