2-(2,4-dichlorophenyl)ethyl-bis[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium

Systemtic Name: 2-(2,4-dichlorophenyl)ethyl-bis[(2S)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: 2-(2,4-dichlorophenyl)ethyl-bis[(2S)-2-hydroxy-3-phenoxy-propyl]ammonium CAS Name: 2-(2,4-dichlorophenyl)ethyl-bis[(2S)-2-hydroxy-3-phenoxypropyl]ammonium IUPAC Name: 2-(2,4-dichlorophenyl)ethyl-bis[(2S)-2-hydroxy-3-phenoxypropyl]azanium Traditional Name: 2-(2,4-dichlorophenyl)ethyl-bis[(2S)-2-hydroxy-3-phenoxy-propyl]ammonium Formula: C26H30Cl2NO4+ MolecularWeight: 491.4267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[NH+](CCC2=C(C=C(C=C2)Cl)Cl)CC(COC3=CC=CC=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](C[NH+](CCC2=C(C=C(C=C2)Cl)Cl)C[C@@H](COC3=CC=CC=C3)O)O

InChI

InChI=1S/C26H29Cl2NO4/c27-21-12-11-20(26(28)15-21)13-14-29(16-22(30)18-32-24-7-3-1-4-8-24)17-23(31)19-33-25-9-5-2-6-10-25/h1-12,15,22-23,30-31H,13-14,16-19H2/p+1/t22-,23-/m0/s1