N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(pyridin-3-ylmethyl)methanamine Openeye Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3-pyridylmethyl)methanamine CAS Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]-N-(3-pyridinylmethyl)methanamine IUPAC Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(pyridin-3-ylmethyl)methanamine Traditional Name: benzofurazan-4-ylmethyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)amine Formula: C25H34N5O+ MolecularWeight: 420.57036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C25H33N5O/c1-2-10-23(11-3-1)30-14-6-8-21(18-30)17-29(16-20-7-5-13-26-15-20)19-22-9-4-12-24-25(22)28-31-27-24/h4-5,7,9,12-13,15,21,23H,1-3,6,8,10-11,14,16-19H2/p+1/t21-/m1/s1