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

Systemtic Name: (2S,3S)-2-(4-ethylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-ethylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-ethylphenyl)-1,3-diphenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-ethylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-2-(4-ethylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C28H34NO+ MolecularWeight: 400.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H33NO/c1-2-23-15-17-26(18-16-23)28(30,21-24-11-5-3-6-12-24)27(22-29-19-9-10-20-29)25-13-7-4-8-14-25/h3-8,11-18,27,30H,2,9-10,19-22H2,1H3/p+1/t27-,28-/m1/s1