[(2R)-3-(1-adamantylmethoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [(2R)-3-(1-adamantylmethoxy)-2-oxidanyl-propyl]-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [(2R)-3-(1-adamantylmethoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [(2R)-3-(1-adamantylmethoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [(2R)-3-(1-adamantylmethoxy)-2-hydroxypropyl]-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [(2R)-3-(1-adamantylmethoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C22H42NO2+ MolecularWeight: 352.57438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC(COCC12CC3CC(C1)CC(C3)C2)O

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]C[C@H](COCC12CC3CC(C1)CC(C3)C2)O

InChI

InChI=1S/C22H41NO2/c1-20(2,3)14-21(4,5)23-12-19(24)13-25-15-22-9-16-6-17(10-22)8-18(7-16)11-22/h16-19,23-24H,6-15H2,1-5H3/p+1/t16?,17?,18?,19-,22?/m1/s1