4-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-1-ium-2-amine

Systemtic Name: 4-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-1-ium-2-amine Openeye Name: 4-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-1-ium-2-amine CAS Name: 4-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-2-pyrimidin-1-iumamine IUPAC Name: 4-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyrimidin-1-ium-2-amine Traditional Name: [4-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]pyrimidin-1-ium-2-yl]amine Formula: C19H28N6+2 MolecularWeight: 340.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C3=NC(=[NH+]C=C3)N)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C4=NC(=[NH+]C=C4)N

InChI

InChI=1S/C19H26N6/c20-19-22-8-3-18(23-19)25-11-6-17(14-25)16-4-9-24(10-5-16)13-15-2-1-7-21-12-15/h1-3,7-8,12,16-17H,4-6,9-11,13-14H2,(H2,20,22,23)/p+2/t17-/m0/s1