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

Systemtic Name: [1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(phenylmethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-benzyl-piperidin-1-ium-4-yl]methanol CAS Name: [1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(phenylmethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-benzylpiperidin-1-ium-4-yl]methanol Traditional Name: [1-(benzofurazan-4-ylmethyl)-4-benzyl-piperidin-1-ium-4-yl]methanol Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1C[NH+](CCC1(CC2=CC=CC=C2)CO)CC3=CC=CC4=NON=C43

InChI

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