(1S,2S)-1-(4-butoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-(4-butoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-butoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-butoxyphenyl)-1,2-diphenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-butoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-butoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C29H36NO2+ MolecularWeight: 430.60164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO2/c1-2-3-22-32-27-18-16-26(17-19-27)29(31,25-14-8-5-9-15-25)28(23-30-20-10-11-21-30)24-12-6-4-7-13-24/h4-9,12-19,28,31H,2-3,10-11,20-23H2,1H3/p+1/t28-,29+/m1/s1