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methanesulfonic acid; 5-(phenylmethyl)pyrrolidin-3-one

methanesulfonic acid; 5-(phenylmethyl)pyrrolidin-3-one

Systemtic Name:methanesulfonic acid; 5-(phenylmethyl)pyrrolidin-3-one
Openeye Name:5-benzylpyrrolidin-3-one; methanesulfonic acid
CAS Name:methanesulfonic acid; 5-(phenylmethyl)-3-pyrrolidinone
IUPAC Name:5-benzylpyrrolidin-3-one; methanesulfonic acid
Traditional Name:5-benzyl-3-pyrrolidone; mesylic acid
Formula: C12H17NO4S
MolecularWeight: 271.33268
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C(NCC1=O)CC2=CC=CC=C2


Isomeric SMILES

CS(=O)(=O)O.C1C(NCC1=O)CC2=CC=CC=C2


InChI

InChI=1S/C11H13NO.CH4O3S/c13-11-7-10(12-8-11)6-9-4-2-1-3-5-9;1-5(2,3)4/h1-5,10,12H,6-8H2;1H3,(H,2,3,4)


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