[(E)-1-imidazol-1-yloct-1-en-3-yl] pyridine-3-carboxylate dihydrochloride

Systemtic Name: [(E)-1-imidazol-1-yloct-1-en-3-yl] pyridine-3-carboxylate dihydrochloride Openeye Name: 1-[(E)-2-imidazol-1-ylvinyl]hexyl pyridine-3-carboxylate dihydrochloride CAS Name: 3-pyridinecarboxylic acid [(E)-1-(1-imidazolyl)oct-1-en-3-yl] ester dihydrochloride IUPAC Name: [(E)-1-imidazol-1-yloct-1-en-3-yl] pyridine-3-carboxylate dihydrochloride Traditional Name: nicotinic acid [(E)-1-amyl-3-imidazol-1-yl-allyl] ester dihydrochloride Formula: C17H23Cl2N3O2 MolecularWeight: 372.28942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CN1C=CN=C1)OC(=O)C2=CN=CC=C2.Cl.Cl

Isomeric SMILES

CCCCCC(/C=C/N1C=CN=C1)OC(=O)C2=CN=CC=C2.Cl.Cl

InChI

InChI=1S/C17H21N3O2.2ClH/c1-2-3-4-7-16(8-11-20-12-10-19-14-20)22-17(21)15-6-5-9-18-13-15;;/h5-6,8-14,16H,2-4,7H2,1H3;2*1H/b11-8+;;