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

Systemtic Name: [(3R,4R)-1-[(4-acetamidophenyl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-[(4-acetamidophenyl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-1-[(4-acetamidophenyl)methyl]-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-1-[(4-acetamidophenyl)methyl]-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-(4-acetamidobenzyl)-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O2/c1-17(27)24-20-8-6-18(7-9-20)15-26-14-11-21(22(28)16-26)25(2)13-10-19-5-3-4-12-23-19/h3-9,12,21-22,28H,10-11,13-16H2,1-2H3,(H,24,27)/p+2/t21-,22-/m1/s1