2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c29-26(20-28-17-15-22(16-18-28)19-21-9-3-1-4-10-21)27-24-13-7-8-14-25(24)30-23-11-5-2-6-12-23/h1-14,22H,15-20H2,(H,27,29)/p+1