[(2R,3S)-1-(1,3-benzoxazol-2-yl)-3-ethyl-heptan-2-yl]azanium

Systemtic Name: [(2R,3S)-1-(1,3-benzoxazol-2-yl)-3-ethyl-heptan-2-yl]azanium Openeye Name: [(1R,2S)-1-(1,3-benzoxazol-2-ylmethyl)-2-ethyl-hexyl]ammonium CAS Name: [(2R,3S)-1-(1,3-benzoxazol-2-yl)-3-ethylheptan-2-yl]ammonium IUPAC Name: [(2R,3S)-1-(1,3-benzoxazol-2-yl)-3-ethylheptan-2-yl]azanium Traditional Name: [(1R,2S)-1-(1,3-benzoxazol-2-ylmethyl)-2-ethyl-hexyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC1=NC2=CC=CC=C2O1)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](CC1=NC2=CC=CC=C2O1)[NH3+]

InChI

InChI=1S/C16H24N2O/c1-3-5-8-12(4-2)13(17)11-16-18-14-9-6-7-10-15(14)19-16/h6-7,9-10,12-13H,3-5,8,11,17H2,1-2H3/p+1/t12-,13+/m0/s1