(2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C26H38NO2+ MolecularWeight: 396.58542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CCC)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CCC)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C26H37NO2/c1-3-5-20-29-24-15-13-23(14-16-24)26(28,17-4-2)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