[(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-bis(3-methylbutyl)azanium

Systemtic Name: [(2S)-3-(2,6-dimethylphenoxy)-2-oxidanyl-propyl]-bis(3-methylbutyl)azanium Openeye Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-diisopentyl-ammonium CAS Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-bis(3-methylbutyl)ammonium IUPAC Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-bis(3-methylbutyl)azanium Traditional Name: [(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-diisoamyl-ammonium Formula: C21H38NO2+ MolecularWeight: 336.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C[NH+](CCC(C)C)CCC(C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C[NH+](CCC(C)C)CCC(C)C)O

InChI

InChI=1S/C21H37NO2/c1-16(2)10-12-22(13-11-17(3)4)14-20(23)15-24-21-18(5)8-7-9-19(21)6/h7-9,16-17,20,23H,10-15H2,1-6H3/p+1/t20-/m0/s1