1-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-amino-3-oxo-propyl)sulfonylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-amino-3-keto-propyl)sulfonylethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S/c18-16(22)7-11-26(24,25)12-10-20-8-5-13(6-9-20)17(23)19-14-3-1-2-4-15(14)21/h1-4,13,21H,5-12H2,(H2,18,22)(H,19,23)/p+1