methyl-[(2R)-3-[(2S)-octan-2-yl]oxy-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2R)-3-[(2S)-octan-2-yl]oxy-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-[(1S)-1-methylheptoxy]propyl]-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[(2S)-octan-2-yl]oxypropyl]-methylammonium IUPAC Name: [(2R)-2-hydroxy-3-[(2S)-octan-2-yl]oxypropyl]-methylazanium Traditional Name: [(2R)-2-hydroxy-3-[(1S)-1-methylheptoxy]propyl]-methyl-ammonium Formula: C12H28NO2+ MolecularWeight: 218.35622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC(C[NH2+]C)O

Isomeric SMILES

CCCCCC[C@H](C)OC[C@@H](C[NH2+]C)O

InChI

InChI=1S/C12H27NO2/c1-4-5-6-7-8-11(2)15-10-12(14)9-13-3/h11-14H,4-10H2,1-3H3/p+1/t11-,12+/m0/s1