(2S,3S)-1,3-diphenyl-2-(4-propoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2S,3S)-1,3-diphenyl-2-(4-propoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-1,3-diphenyl-2-(4-propoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-1,3-diphenyl-2-(4-propoxyphenyl)-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-1,3-diphenyl-2-(4-propoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-1,3-diphenyl-2-(4-propoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C29H36NO2+ MolecularWeight: 430.60164

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO2/c1-2-21-32-27-17-15-26(16-18-27)29(31,22-24-11-5-3-6-12-24)28(23-30-19-9-10-20-30)25-13-7-4-8-14-25/h3-8,11-18,28,31H,2,9-10,19-23H2,1H3/p+1/t28-,29-/m1/s1