(2R,3S,4S,6R)-1-methyl-3-pentyl-2,4,6-triphenyl-piperidin-1-ium-4-ol

Systemtic Name: (2R,3S,4S,6R)-1-methyl-3-pentyl-2,4,6-triphenyl-piperidin-1-ium-4-ol Openeye Name: (2R,3S,4S,6R)-1-methyl-3-pentyl-2,4,6-triphenyl-piperidin-1-ium-4-ol CAS Name: (2R,3S,4S,6R)-1-methyl-3-pentyl-2,4,6-triphenyl-4-piperidin-1-iumol IUPAC Name: (2R,3S,4S,6R)-1-methyl-3-pentyl-2,4,6-triphenylpiperidin-1-ium-4-ol Traditional Name: (2R,3S,4S,6R)-3-amyl-1-methyl-2,4,6-triphenyl-piperidin-1-ium-4-ol Formula: C29H36NO+ MolecularWeight: 414.60224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C([NH+](C(CC1(C2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCC[C@H]1[C@@H]([NH+]([C@H](C[C@]1(C2=CC=CC=C2)O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H35NO/c1-3-4-8-21-26-28(24-17-11-6-12-18-24)30(2)27(23-15-9-5-10-16-23)22-29(26,31)25-19-13-7-14-20-25/h5-7,9-20,26-28,31H,3-4,8,21-22H2,1-2H3/p+1/t26-,27+,28-,29+/m0/s1