1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-(phenylthio)anilino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c30-25(28-23-13-7-8-14-24(23)32-22-11-5-2-6-12-22)19-29-17-15-20(16-18-29)26(31)27-21-9-3-1-4-10-21/h1-14,20H,15-19H2,(H,27,31)(H,28,30)/p+1