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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(4-oxo-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[(4-ketochromen-3-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H29N3O3+2 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H27N3O3/c1-25(12-9-18-6-4-5-11-24-18)20-10-13-26(15-21(20)27)14-17-16-29-22-8-3-2-7-19(22)23(17)28/h2-8,11,16,20-21,27H,9-10,12-15H2,1H3/p+2/t20-,21-/m1/s1