2-oxidanyl-3,5-bis(piperidin-1-ylmethyl)-7-propan-2-yl-cyclohepta-2,4,6-trien-1-one dihydrochloride

Systemtic Name: 2-oxidanyl-3,5-bis(piperidin-1-ylmethyl)-7-propan-2-yl-cyclohepta-2,4,6-trien-1-one dihydrochloride Openeye Name: 2-hydroxy-7-isopropyl-3,5-bis(1-piperidylmethyl)cyclohepta-2,4,6-trien-1-one dihydrochloride CAS Name: 2-hydroxy-3,5-bis(1-piperidinylmethyl)-7-propan-2-yl-1-cyclohepta-2,4,6-trienone dihydrochloride IUPAC Name: 2-hydroxy-3,5-bis(piperidin-1-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dihydrochloride Traditional Name: 2-hydroxy-7-isopropyl-3,5-bis(piperidinomethyl)cyclohepta-2,4,6-trien-1-one dihydrochloride Formula: C22H36Cl2N2O2 MolecularWeight: 431.43944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C(C1=O)O)CN2CCCCC2)CN3CCCCC3.Cl.Cl

Isomeric SMILES

CC(C)C1=CC(=CC(=C(C1=O)O)CN2CCCCC2)CN3CCCCC3.Cl.Cl

InChI

InChI=1S/C22H34N2O2.2ClH/c1-17(2)20-14-18(15-23-9-5-3-6-10-23)13-19(21(25)22(20)26)16-24-11-7-4-8-12-24;;/h13-14,17H,3-12,15-16H2,1-2H3,(H,25,26);2*1H