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

Systemtic Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3R)-2-phenyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-heptan-3-ol Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO2/c1-3-5-18-26(28,23-14-16-24(17-15-23)29-4-2)25(22-12-8-6-9-13-22)21-27-19-10-7-11-20-27/h6,8-9,12-17,25,28H,3-5,7,10-11,18-21H2,1-2H3/p+1/t25-,26+/m1/s1