5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]-2,1,3-benzoxadiazole

Systemtic Name: 5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]-2,1,3-benzoxadiazole Openeye Name: 5-[[(3R)-3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-ium-1-yl]methyl]-2,1,3-benzoxadiazole CAS Name: 5-[[(3R)-3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidin-1-iumyl]methyl]-2,1,3-benzoxadiazole IUPAC Name: 5-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-ium-1-yl]methyl]-2,1,3-benzoxadiazole Traditional Name: 5-[[(3R)-3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidin-1-ium-1-yl]methyl]benzofurazan Formula: C20H25N6O+ MolecularWeight: 365.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C3=NC=CC=N3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C3=NC=CC=N3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C20H24N6O/c1-7-21-20(22-8-1)26-10-5-16(6-11-26)17-4-9-25(14-17)13-15-2-3-18-19(12-15)24-27-23-18/h1-3,7-8,12,16-17H,4-6,9-11,13-14H2/p+1/t17-/m0/s1