[1-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-(benzofurazan-5-ylmethyl)-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=NON=C3C=C2)[NH+]4CCC(CC4)CO

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=NON=C3C=C2)[NH+]4CCC(CC4)CO

InChI

InChI=1S/C18H26N4O2/c23-13-14-5-8-22(9-6-14)16-2-1-7-21(12-16)11-15-3-4-17-18(10-15)20-24-19-17/h3-4,10,14,16,23H,1-2,5-9,11-13H2/p+1/t16-/m0/s1