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

Systemtic Name: [1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(3-phenylpropyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-(benzofurazan-5-ylmethyl)-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CC4=NON=C4C=C3

Isomeric SMILES

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C22H27N3O2/c26-17-22(10-4-7-18-5-2-1-3-6-18)11-13-25(14-12-22)16-19-8-9-20-21(15-19)24-27-23-20/h1-3,5-6,8-9,15,26H,4,7,10-14,16-17H2/p+1