3-(4-ethylsulfonylphenoxy)-N,N-dimethyl-3-phenyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-(4-ethylsulfonylphenoxy)-N,N-dimethyl-3-phenyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-(4-ethylsulfonylphenoxy)-N,N-dimethyl-3-phenyl-propan-1-amine citrate CAS Name: 3-(4-ethylsulfonylphenoxy)-N,N-dimethyl-3-phenyl-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-(4-ethylsulfonylphenoxy)-N,N-dimethyl-3-phenylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: [3-(4-esylphenoxy)-3-phenyl-propyl]-dimethyl-amine citrate Formula: C25H30NO10S-3 MolecularWeight: 536.5714

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)OC(CCN(C)C)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)OC(CCN(C)C)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C19H25NO3S.C6H8O7/c1-4-24(21,22)18-12-10-17(11-13-18)23-19(14-15-20(2)3)16-8-6-5-7-9-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,19H,4,14-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3