[(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-hydroxy-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-hydroxypiperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C20H33N5O+2 MolecularWeight: 359.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(C(C2)O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C20H31N5O/c1-4-20-22-15(2)17(23-20)13-25-12-9-18(19(26)14-25)24(3)11-8-16-7-5-6-10-21-16/h5-7,10,18-19,26H,4,8-9,11-14H2,1-3H3,(H,22,23)/p+2/t18-,19-/m1/s1