1-(4-oxidanylidene-4-phenyl-butyl)piperidin-1-ium-1-sulfonic acid

Systemtic Name: 1-(4-oxidanylidene-4-phenyl-butyl)piperidin-1-ium-1-sulfonic acid Openeye Name: 1-(4-oxo-4-phenyl-butyl)piperidin-1-ium-1-sulfonic acid CAS Name: 1-(4-oxo-4-phenylbutyl)-1-piperidin-1-iumsulfonic acid IUPAC Name: 1-(4-oxo-4-phenylbutyl)piperidin-1-ium-1-sulfonic acid Traditional Name: 1-(4-keto-4-phenyl-butyl)piperidin-1-ium-1-sulfonic acid Formula: C15H22NO4S+ MolecularWeight: 312.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCC(=O)C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1CC[N+](CC1)(CCCC(=O)C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C15H21NO4S/c17-15(14-8-3-1-4-9-14)10-7-13-16(21(18,19)20)11-5-2-6-12-16/h1,3-4,8-9H,2,5-7,10-13H2/p+1