2-methylbenzenesulfonic acid; 1-(phenylmethyl)pyrrolidin-3-ol

Systemtic Name: 2-methylbenzenesulfonic acid; 1-(phenylmethyl)pyrrolidin-3-ol Openeye Name: 1-benzylpyrrolidin-3-ol; 2-methylbenzenesulfonic acid CAS Name: 2-methylbenzenesulfonic acid; 1-(phenylmethyl)-3-pyrrolidinol IUPAC Name: 1-benzylpyrrolidin-3-ol; 2-methylbenzenesulfonic acid Traditional Name: 1-benzylpyrrolidin-3-ol; 2-methylbesylic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.C1CN(CC1O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.C1CN(CC1O)CC2=CC=CC=C2

InChI

InChI=1S/C11H15NO.C7H8O3S/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-6-4-2-3-5-7(6)11(8,9)10/h1-5,11,13H,6-9H2;2-5H,1H3,(H,8,9,10)