5-[ethoxy(phenyl)methyl]-1-methyl-pyrazole; N-methylmethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 5-[ethoxy(phenyl)methyl]-1-methyl-pyrazole; N-methylmethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 5-[ethoxy(phenyl)methyl]-1-methyl-pyrazole; N-methylmethanamine; citrate CAS Name: 5-[ethoxy(phenyl)methyl]-1-methylpyrazole; 2-hydroxypropane-1,2,3-tricarboxylate; N-methylmethanamine IUPAC Name: 5-[ethoxy(phenyl)methyl]-1-methylpyrazole; 2-hydroxypropane-1,2,3-tricarboxylate; N-methylmethanamine Traditional Name: dimethylamine; 5-[ethoxy(phenyl)methyl]-1-methyl-pyrazole; citrate Formula: C21H28N3O8-3 MolecularWeight: 450.46232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C2=CC=NN2C.CNC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCOC(C1=CC=CC=C1)C2=CC=NN2C.CNC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C13H16N2O.C6H8O7.C2H7N/c1-3-16-13(11-7-5-4-6-8-11)12-9-10-14-15(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-2/h4-10,13H,3H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,1-2H3/p-3