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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H35N3O+2 MolecularWeight: 369.5435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C23H33N3O/c1-18(2)20-9-7-19(8-10-20)16-26-15-12-22(23(27)17-26)25(3)14-11-21-6-4-5-13-24-21/h4-10,13,18,22-23,27H,11-12,14-17H2,1-3H3/p+2/t22-,23-/m1/s1