4-[(2S,3S)-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-nonan-3-yl]phenol

Systemtic Name: 4-[(2S,3S)-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-nonan-3-yl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]heptyl]phenol CAS Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-(1-piperidin-1-iumyl)nonan-3-yl]phenol IUPAC Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ium-1-ylnonan-3-yl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]heptyl]phenol Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO2/c1-2-3-4-9-18-26(29,23-14-16-24(28)17-15-23)25(22-12-7-5-8-13-22)21-27-19-10-6-11-20-27/h5,7-8,12-17,25,28-29H,2-4,6,9-11,18-21H2,1H3/p+1/t25-,26-/m1/s1