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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2/c1-17-6-5-7-19(16-17)21(24,18-8-10-20(23)11-9-18)12-15-22-13-3-2-4-14-22/h5-11,16,23-24H,2-4,12-15H2,1H3/p+1/t21-/m0/s1