[3-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-1-ium-1-yl] methanesulfonate

Systemtic Name: [3-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-1-ium-1-yl] methanesulfonate Openeye Name: [1-benzyl-3-(hydroxymethyl)pyrrolidin-1-ium-1-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(hydroxymethyl)-1-(phenylmethyl)-1-pyrrolidin-1-iumyl] ester IUPAC Name: [1-benzyl-3-(hydroxymethyl)pyrrolidin-1-ium-1-yl] methanesulfonate Traditional Name: methanesulfonic acid (1-benzyl-3-methylol-pyrrolidin-1-ium-1-yl) ester Formula: C13H20NO4S+ MolecularWeight: 286.3672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O[N+]1(CCC(C1)CO)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)O[N+]1(CCC(C1)CO)CC2=CC=CC=C2

InChI

InChI=1S/C13H20NO4S/c1-19(16,17)18-14(8-7-13(10-14)11-15)9-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3/q+1