N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(pyridin-3-ylmethyl)methanamine Openeye Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(3-pyridylmethyl)methanamine CAS Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]-N-(3-pyridinylmethyl)methanamine IUPAC Name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]-N-(pyridin-3-ylmethyl)methanamine Traditional Name: benzofurazan-5-ylmethyl-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-(3-pyridylmethyl)amine Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CC4=NON=C4C=C3)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CC4=NON=C4C=C3)CC5=CN=CC=C5

InChI

InChI=1S/C25H33N5O/c1-2-8-23(9-3-1)30-13-5-7-22(19-30)18-29(17-21-6-4-12-26-15-21)16-20-10-11-24-25(14-20)28-31-27-24/h4,6,10-12,14-15,22-23H,1-3,5,7-9,13,16-19H2/p+1/t22-/m1/s1