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

Systemtic Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(4-butoxyphenyl)-1-cyclohexyl-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C29H42NO2+ MolecularWeight: 436.64928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H41NO2/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/h4,6-7,12-13,16-19,25,28,31H,2-3,5,8-11,14-15,20-23H2,1H3/p+1/t28-,29-/m1/s1