[(2S)-3-(1-adamantyloxy)-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium

Systemtic Name: [(2S)-3-(1-adamantyloxy)-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium Openeye Name: [(2S)-3-(1-adamantyloxy)-2-hydroxy-propyl]-diisobutyl-ammonium CAS Name: [(2S)-3-(1-adamantyloxy)-2-hydroxypropyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(2S)-3-(1-adamantyloxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium Traditional Name: [(2S)-3-(1-adamantyloxy)-2-hydroxy-propyl]-diisobutyl-ammonium Formula: C21H40NO2+ MolecularWeight: 338.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)CC(COC12CC3CC(C1)CC(C3)C2)O

Isomeric SMILES

CC(C)C[NH+](C[C@@H](COC12CC3CC(C1)CC(C3)C2)O)CC(C)C

InChI

InChI=1S/C21H39NO2/c1-15(2)11-22(12-16(3)4)13-20(23)14-24-21-8-17-5-18(9-21)7-19(6-17)10-21/h15-20,23H,5-14H2,1-4H3/p+1/t17?,18?,19?,20-,21?/m0/s1