(2R,3S)-3-[2,4-bis(chloranyl)phenoxy]-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2R,3S)-3-[2,4-bis(chloranyl)phenoxy]-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-3-(2,4-dichlorophenoxy)-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-3-(2,4-dichlorophenoxy)-2-(4-ethoxyphenyl)-1-phenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-3-(2,4-dichlorophenoxy)-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-3-(2,4-dichlorophenoxy)-1-phenyl-2-p-phenetyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C28H32Cl2NO3+ MolecularWeight: 501.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C28H31Cl2NO3/c1-2-33-24-13-10-22(11-14-24)28(32,19-21-8-4-3-5-9-21)27(20-31-16-6-7-17-31)34-26-15-12-23(29)18-25(26)30/h3-5,8-15,18,27,32H,2,6-7,16-17,19-20H2,1H3/p+1/t27-,28+/m0/s1