2-(4-hydroxyphenyl)ethyl-[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]azanium

Systemtic Name: 2-(4-hydroxyphenyl)ethyl-[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]azanium Openeye Name: [(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: [(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: [(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)[NH2+]CCC2=CC=C(C=C2)O

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)[NH2+]CCC2=CC=C(C=C2)O

InChI

InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/p+1/t12-,17-/m1/s1