1-[(2R)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2R)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-3-(4-cumylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-ol Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C23H31NO3/c1-23(2,18-6-4-3-5-7-18)19-8-10-22(11-9-19)27-17-21(26)16-24-14-12-20(25)13-15-24/h3-11,20-21,25-26H,12-17H2,1-2H3/p+1/t21-/m1/s1