potassium 3-[1-(2-chlorophenyl)butyl]imidazole-4-carboxylate dihydrate

Systemtic Name: potassium 3-[1-(2-chlorophenyl)butyl]imidazole-4-carboxylate dihydrate Openeye Name: potassium 3-[1-(2-chlorophenyl)butyl]imidazole-4-carboxylate dihydrate CAS Name: potassium 3-[1-(2-chlorophenyl)butyl]-4-imidazolecarboxylate dihydrate IUPAC Name: potassium 3-[1-(2-chlorophenyl)butyl]imidazole-4-carboxylate dihydrate Traditional Name: potassium 3-[1-(2-chlorophenyl)butyl]imidazole-4-carboxylate dihydrate Formula: C14H18ClKN2O4 MolecularWeight: 352.85502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1Cl)N2C=NC=C2C(=O)[O-].O.O.[K+]

Isomeric SMILES

CCCC(C1=CC=CC=C1Cl)N2C=NC=C2C(=O)[O-].O.O.[K+]

InChI

InChI=1S/C14H15ClN2O2.K.2H2O/c1-2-5-12(10-6-3-4-7-11(10)15)17-9-16-8-13(17)14(18)19;;;/h3-4,6-9,12H,2,5H2,1H3,(H,18,19);;2*1H2/q;+1;;/p-1