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

Systemtic Name: (2S,3S)-2-(4-butoxyphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-butoxyphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-butoxyphenyl)-1,3-diphenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-butoxyphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-2-(4-butoxyphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C30H38NO2+ MolecularWeight: 444.62822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO2/c1-2-3-22-33-28-18-16-27(17-19-28)30(32,23-25-12-6-4-7-13-25)29(24-31-20-10-11-21-31)26-14-8-5-9-15-26/h4-9,12-19,29,32H,2-3,10-11,20-24H2,1H3/p+1/t29-,30-/m1/s1