4-[(1S,2R)-1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]phenol

Systemtic Name: 4-[(1S,2R)-1-oxidanyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propyl]phenol Openeye Name: 4-[(1S,2R)-2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxy-propyl]phenol CAS Name: 4-[(1S,2R)-1-hydroxy-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]phenol IUPAC Name: 4-[(1S,2R)-2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxypropyl]phenol Traditional Name: 4-[(1S,2R)-2-(4-benzylpiperidin-1-ium-1-yl)-1-hydroxy-propyl]phenol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/p+1/t16-,21-/m1/s1