N-(2-hydroxyphenyl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[2-[(S)-phenylsulfinyl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidin-1-ium-4-carboxamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CCS(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC[S@](=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c23-19-9-5-4-8-18(19)21-20(24)16-10-12-22(13-11-16)14-15-26(25)17-6-2-1-3-7-17/h1-9,16,23H,10-15H2,(H,21,24)/p+1/t26-/m0/s1