(2S,3S)-3-(4-butoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-5-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C27H40NO2+ MolecularWeight: 410.612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-4-5-19-30-25-15-13-24(14-16-25)27(29,20-22(2)3)26(21-28-17-9-10-18-28)23-11-7-6-8-12-23/h6-8,11-16,22,26,29H,4-5,9-10,17-21H2,1-3H3/p+1/t26-,27-/m1/s1