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

Systemtic Name: 4-[(1S)-1-(4-methoxyphenyl)-1-oxidanyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S)-1-hydroxy-1-(4-methoxyphenyl)-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S)-1-hydroxy-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H27NO3/c1-25-20-11-7-18(8-12-20)21(24,17-5-9-19(23)10-6-17)13-16-22-14-3-2-4-15-22/h5-12,23-24H,2-4,13-16H2,1H3/p+1/t21-/m0/s1