4-[(2S,3S)-6-methyl-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-yl]phenol

Systemtic Name: 4-[(2S,3S)-6-methyl-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-yl]phenol Openeye Name: 4-[(1S)-1-hydroxy-4-methyl-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]pentyl]phenol CAS Name: 4-[(2S,3S)-3-hydroxy-6-methyl-2-phenyl-1-(1-piperidin-1-iumyl)heptan-3-yl]phenol IUPAC Name: 4-[(2S,3S)-3-hydroxy-6-methyl-2-phenyl-1-piperidin-1-ium-1-ylheptan-3-yl]phenol Traditional Name: 4-[(1S)-1-hydroxy-4-methyl-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]pentyl]phenol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2/c1-20(2)15-16-25(28,22-11-13-23(27)14-12-22)24(21-9-5-3-6-10-21)19-26-17-7-4-8-18-26/h3,5-6,9-14,20,24,27-28H,4,7-8,15-19H2,1-2H3/p+1/t24-,25-/m1/s1