methyl-[(3R,4R)-3-oxidanyl-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-(3-pyridylmethyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(3-pyridylmethyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C19H28N4O+2 MolecularWeight: 328.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CN=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CN=CC=C3

InChI

InChI=1S/C19H26N4O/c1-22(11-7-17-6-2-3-10-21-17)18-8-12-23(15-19(18)24)14-16-5-4-9-20-13-16/h2-6,9-10,13,18-19,24H,7-8,11-12,14-15H2,1H3/p+2/t18-,19-/m1/s1