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4-methylbenzenesulfonic acid; (3S)-1-(phenylmethyl)pyrrolidin-3-ol

4-methylbenzenesulfonic acid; (3S)-1-(phenylmethyl)pyrrolidin-3-ol

Systemtic Name:4-methylbenzenesulfonic acid; (3S)-1-(phenylmethyl)pyrrolidin-3-ol
Openeye Name:(3S)-1-benzylpyrrolidin-3-ol; 4-methylbenzenesulfonic acid
CAS Name:4-methylbenzenesulfonic acid; (3S)-1-(phenylmethyl)-3-pyrrolidinol
IUPAC Name:(3S)-1-benzylpyrrolidin-3-ol; 4-methylbenzenesulfonic acid
Traditional Name:(3S)-1-benzylpyrrolidin-3-ol; tosylic acid
Formula: C18H23NO4S
MolecularWeight: 349.44452
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CC1O)CC2=CC=CC=C2


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(C[C@H]1O)CC2=CC=CC=C2


InChI

InChI=1S/C11H15NO.C7H8O3S/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11,13H,6-9H2;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1


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