N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(2-benzylphenoxy)-N,N-dimethyl-ethanamine citrate CAS Name: N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(2-benzylphenoxy)-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(2-benzylphenoxy)ethyl-dimethyl-amine citrate Formula: C23H26NO8-3 MolecularWeight: 444.45444

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3