4-methylbenzenesulfonic acid; 1-[(2,2,5,5-tetramethyl-1-oxidanidyl-1H-pyrrol-1-ium-3-yl)methyl]piperidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[(2,2,5,5-tetramethyl-1-oxidanidyl-1H-pyrrol-1-ium-3-yl)methyl]piperidine Openeye Name: 4-methylbenzenesulfonic acid; 1-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]piperidine CAS Name: 4-methylbenzenesulfonic acid; 1-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]piperidine IUPAC Name: 4-methylbenzenesulfonic acid; 1-[(2,2,5,5-tetramethyl-1-oxido-1H-pyrrol-1-ium-3-yl)methyl]piperidine Traditional Name: 1-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolin-1-ium-3-yl)methyl]piperidine; tosylic acid Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C=C(C([NH+]1[O-])(C)C)CN2CCCCC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C=C(C([NH+]1[O-])(C)C)CN2CCCCC2)C

InChI

InChI=1S/C14H26N2O.C7H8O3S/c1-13(2)10-12(14(3,4)16(13)17)11-15-8-6-5-7-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h10,16H,5-9,11H2,1-4H3;2-5H,1H3,(H,8,9,10)