[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-(3-pyridinylmethyl)-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(3-pyridylmethyl)-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]ammonium Formula: C27H38N6+2 MolecularWeight: 446.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CN=CC=C3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C27H36N6/c1-2-10-25(11-3-1)32-16-5-9-24(21-32)20-31(19-23-8-4-13-28-18-23)22-26-12-6-17-33(26)27-29-14-7-15-30-27/h4,6-8,12-15,17-18,24-25H,1-3,5,9-11,16,19-22H2/p+2/t24-/m1/s1