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

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-benzylsulfanylanilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-oxo-2-[2-(phenylmethylthio)anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-benzylsulfanylanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(benzylthio)anilino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S/c31-24-12-6-4-10-22(24)29-27(33)21-14-16-30(17-15-21)18-26(32)28-23-11-5-7-13-25(23)34-19-20-8-2-1-3-9-20/h1-13,21,31H,14-19H2,(H,28,32)(H,29,33)/p+1