(3-chloranyl-4-oxidanyl-phenyl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (3-chloranyl-4-oxidanyl-phenyl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (3-chloro-4-hydroxy-phenyl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)ammonium CAS Name: (3-chloro-4-hydroxyphenyl)methyl-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (3-chloro-4-hydroxyphenyl)methyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (3-chloro-4-hydroxy-benzyl)-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)ammonium Formula: C25H36ClN3O+2 MolecularWeight: 430.02584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CC(=C(C=C3)O)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CC(=C(C=C3)O)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C25H34ClN3O/c26-24-14-20(10-11-25(24)30)16-28(17-21-6-4-12-27-15-21)18-22-7-5-13-29(19-22)23-8-2-1-3-9-23/h4,6,10-12,14-15,22-23,30H,1-3,5,7-9,13,16-19H2/p+2/t22-/m1/s1