[(2S)-3-(1-adamantyloxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [(2S)-3-(1-adamantyloxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2S)-3-(1-adamantyloxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2S)-3-(1-adamantyloxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2S)-3-(1-adamantyloxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2S)-3-(1-adamantyloxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C21H40NO2+ MolecularWeight: 338.5478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC(COC12CC3CC(C1)CC(C3)C2)O

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]C[C@@H](COC12CC3CC(C1)CC(C3)C2)O

InChI

InChI=1S/C21H39NO2/c1-19(2,3)14-20(4,5)22-12-18(23)13-24-21-9-15-6-16(10-21)8-17(7-15)11-21/h15-18,22-23H,6-14H2,1-5H3/p+1/t15?,16?,17?,18-,21?/m0/s1