(2S,3S)-3-(4-chlorophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol

Systemtic Name: (2S,3S)-3-(4-chlorophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3S)-3-(4-chlorophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3S)-3-(4-chlorophenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (2S,3S)-3-(4-chlorophenyl)-2-phenyl-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3S)-3-(4-chlorophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Formula: C25H35ClNO+ MolecularWeight: 401.0045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClNO/c1-2-3-8-17-25(28,22-13-15-23(26)16-14-22)24(21-11-6-4-7-12-21)20-27-18-9-5-10-19-27/h4,6-7,11-16,24,28H,2-3,5,8-10,17-20H2,1H3/p+1/t24-,25-/m1/s1