[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: [2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: [2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; methanesulfonic acid [2-methoxy-4-(1-pyrrolidinylmethyl)phenyl] ester IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; [2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-methoxy-4-(pyrrolidinomethyl)phenyl] ester citrate Formula: C19H24NO11S-3 MolecularWeight: 474.45896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC2)OS(=O)(=O)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC2)OS(=O)(=O)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C13H19NO4S.C6H8O7/c1-17-13-9-11(10-14-7-3-4-8-14)5-6-12(13)18-19(2,15)16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9H,3-4,7-8,10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3