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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-nonan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-(1-piperidin-1-iumyl)-3-nonanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-ylnonan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-1-piperidin-1-ium-1-yl-3-p-phenetyl-nonan-3-ol Formula: C28H41ClNO2+ MolecularWeight: 459.08364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40ClNO2/c1-3-5-6-8-19-28(31,24-13-17-26(18-14-24)32-4-2)27(22-30-20-9-7-10-21-30)23-11-15-25(29)16-12-23/h11-18,27,31H,3-10,19-22H2,1-2H3/p+1/t27-,28-/m1/s1