(1-methylpyrrolidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-methylpyrrolidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-methylpyrrolidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-methyl-3-pyrrolidinyl) ester IUPAC Name: (1-methylpyrrolidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methylpyrrolidin-3-yl) ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(C2)C

InChI

InChI=1S/C12H17NO3S/c1-10-3-5-12(6-4-10)17(14,15)16-11-7-8-13(2)9-11/h3-6,11H,7-9H2,1-2H3