(2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OCCC)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCC[C@@](C1=CC=C(C=C1)OCCC)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

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