5-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]pyrimidin-2-amine

Systemtic Name: 5-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]pyrimidin-2-amine Openeye Name: 5-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]pyrimidin-2-amine CAS Name: 5-[[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl-[2-(1-piperidin-1-iumyl)ethyl]amino]methyl]-2-pyrimidinamine IUPAC Name: 5-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]pyrimidin-2-amine Traditional Name: (2-aminopyrimidin-5-yl)methyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C23H42N6+2 MolecularWeight: 402.61978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN(CC2CCC[NH+](C2)C3CCCC3)CC4=CN=C(N=C4)N

Isomeric SMILES

C1CC[NH+](CC1)CCN(C[C@H]2CCC[NH+](C2)C3CCCC3)CC4=CN=C(N=C4)N

InChI

InChI=1S/C23H40N6/c24-23-25-15-21(16-26-23)18-28(14-13-27-10-4-1-5-11-27)17-20-7-6-12-29(19-20)22-8-2-3-9-22/h15-16,20,22H,1-14,17-19H2,(H2,24,25,26)/p+2/t20-/m1/s1