2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carboxylic acid dihydrate

Systemtic Name: 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carboxylic acid dihydrate Openeye Name: 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carboxylic acid dihydrate CAS Name: 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid dihydrate IUPAC Name: 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid dihydrate Traditional Name: 2-(4-methyl-2-phenyl-piperazino)nicotinic acid dihydrate Formula: C17H23N3O4 MolecularWeight: 333.38222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O.O.O

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O.O.O

InChI

InChI=1S/C17H19N3O2.2H2O/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16;;/h2-9,15H,10-12H2,1H3,(H,21,22);2*1H2