(2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-1-piperidin-1-ium-1-yl-3-p-phenetyl-heptan-3-ol Formula: C26H37ClNO2+ MolecularWeight: 431.03048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClNO2/c1-3-5-17-26(29,22-11-15-24(16-12-22)30-4-2)25(20-28-18-7-6-8-19-28)21-9-13-23(27)14-10-21/h9-16,25,29H,3-8,17-20H2,1-2H3/p+1/t25-,26-/m1/s1