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

Systemtic Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-nonan-3-ol Openeye Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-nonan-3-ol CAS Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-nonanol IUPAC Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylnonan-3-ol Traditional Name: (2S,3S)-3-(4-butoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-nonan-3-ol Formula: C29H44NO2+ MolecularWeight: 438.66516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43NO2/c1-3-5-7-11-20-29(31,26-16-18-27(19-17-26)32-23-6-4-2)28(24-30-21-12-13-22-30)25-14-9-8-10-15-25/h8-10,14-19,28,31H,3-7,11-13,20-24H2,1-2H3/p+1/t28-,29-/m1/s1