[2-(tert-butylamino)-2-oxidanylidene-ethyl]-ethyl-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-ethyl-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]azanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=CC=C(C=C1)C2=CC=CC=C2)O)CC(=O)NC(C)(C)C

Isomeric SMILES

CC[NH+](C[C@H](COC1=CC=C(C=C1)C2=CC=CC=C2)O)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H32N2O3/c1-5-25(16-22(27)24-23(2,3)4)15-20(26)17-28-21-13-11-19(12-14-21)18-9-7-6-8-10-18/h6-14,20,26H,5,15-17H2,1-4H3,(H,24,27)/p+1/t20-/m1/s1