4-[(1R)-1-(4-methylphenyl)-1-oxidanyl-3-piperidin-1-ium-1-yl-propyl]phenol

Systemtic Name: 4-[(1R)-1-(4-methylphenyl)-1-oxidanyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1R)-1-hydroxy-3-piperidin-1-ium-1-yl-1-(p-tolyl)propyl]phenol CAS Name: 4-[(1R)-1-hydroxy-1-(4-methylphenyl)-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1R)-1-hydroxy-1-(4-methylphenyl)-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1R)-1-hydroxy-3-piperidin-1-ium-1-yl-1-(p-tolyl)propyl]phenol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H27NO2/c1-17-5-7-18(8-6-17)21(24,19-9-11-20(23)12-10-19)13-16-22-14-3-2-4-15-22/h5-12,23-24H,2-4,13-16H2,1H3/p+1/t21-/m1/s1