N,N-dimethyl-2-[1-methyl-3-(phenylmethyl)pyrazol-4-yl]oxy-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-dimethyl-2-[1-methyl-3-(phenylmethyl)pyrazol-4-yl]oxy-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(3-benzyl-1-methyl-pyrazol-4-yl)oxy-N,N-dimethyl-ethanamine citrate CAS Name: N,N-dimethyl-2-[[1-methyl-3-(phenylmethyl)-4-pyrazolyl]oxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(3-benzyl-1-methylpyrazol-4-yl)oxy-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(3-benzyl-1-methyl-pyrazol-4-yl)oxyethyl-dimethyl-amine citrate Formula: C21H26N3O8-3 MolecularWeight: 448.44644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CC2=CC=CC=C2)OCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN1C=C(C(=N1)CC2=CC=CC=C2)OCCN(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C15H21N3O.C6H8O7/c1-17(2)9-10-19-15-12-18(3)16-14(15)11-13-7-5-4-6-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-8,12H,9-11H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3