4-methylbenzenesulfonate; trimethyl-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-(2-oxidanyl-3-pyrrolidin-1-yl-propyl)azanium Openeye Name: (2-hydroxy-3-pyrrolidin-1-yl-propyl)-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [2-hydroxy-3-(1-pyrrolidinyl)propyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: (2-hydroxy-3-pyrrolidin-1-ylpropyl)-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: (2-hydroxy-3-pyrrolidino-propyl)-trimethyl-ammonium tosylate Formula: C17H30N2O4S MolecularWeight: 358.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CC(CN1CCCC1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CC(CN1CCCC1)O

InChI

InChI=1S/C10H23N2O.C7H8O3S/c1-12(2,3)9-10(13)8-11-6-4-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h10,13H,4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1