4-[(1S)-1-(2-methoxyphenyl)-1-oxidanyl-3-piperidin-1-ium-1-yl-propyl]phenol

Systemtic Name: 4-[(1S)-1-(2-methoxyphenyl)-1-oxidanyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S)-1-hydroxy-1-(2-methoxyphenyl)-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S)-1-hydroxy-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-(2-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=CC=C1C(CC[NH+]2CCCCC2)(C3=CC=C(C=C3)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-25-20-8-4-3-7-19(20)21(24,17-9-11-18(23)12-10-17)13-16-22-14-5-2-6-15-22/h3-4,7-12,23-24H,2,5-6,13-16H2,1H3/p+1/t21-/m0/s1