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

Systemtic Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-benzyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-benzylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(benzofurazan-5-ylmethyl)-3-benzyl-piperidin-1-ium-3-yl]methanol Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NON=C3C=C2)(CC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC3=NON=C3C=C2)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C20H23N3O2/c24-15-20(12-16-5-2-1-3-6-16)9-4-10-23(14-20)13-17-7-8-18-19(11-17)22-25-21-18/h1-3,5-8,11,24H,4,9-10,12-15H2/p+1/t20-/m0/s1