[(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-(benzofurazan-4-ylmethyl)-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=NON=C32)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC=CC3=NON=C32)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C21H25N3O2/c25-16-21(12-10-17-6-2-1-3-7-17)11-5-13-24(15-21)14-18-8-4-9-19-20(18)23-26-22-19/h1-4,6-9,25H,5,10-16H2/p+1/t21-/m0/s1