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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H31N5O+2 MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C23H29N5O/c1-26(14-9-19-6-2-3-12-25-19)22-10-15-27(18-23(22)29)17-21-8-5-13-28(21)20-7-4-11-24-16-20/h2-8,11-13,16,22-23,29H,9-10,14-15,17-18H2,1H3/p+2/t22-,23-/m1/s1