dimethyl-[2-[4-[(1S,2R)-1-oxidanyl-1,2-diphenyl-butyl]phenoxy]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-[(1S,2R)-1-oxidanyl-1,2-diphenyl-butyl]phenoxy]ethyl]azanium Openeye Name: 2-[4-[(1S,2R)-1-hydroxy-1,2-diphenyl-butyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(1S,2R)-1-hydroxy-1,2-diphenylbutyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(1S,2R)-1-hydroxy-1,2-diphenylbutyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(1S,2R)-1-hydroxy-1,2-diphenyl-butyl]phenoxy]ethyl-dimethyl-ammonium Formula: C26H32NO2+ MolecularWeight: 390.53778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OCC[NH+](C)C)O

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)[C@](C2=CC=CC=C2)(C3=CC=C(C=C3)OCC[NH+](C)C)O

InChI

InChI=1S/C26H31NO2/c1-4-25(21-11-7-5-8-12-21)26(28,22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2)3/h5-18,25,28H,4,19-20H2,1-3H3/p+1/t25-,26+/m1/s1