3-methoxypropyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 3-methoxypropyl-[(2S)-octan-2-yl]azanium Openeye Name: 3-methoxypropyl-[(1S)-1-methylheptyl]ammonium CAS Name: 3-methoxypropyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 3-methoxypropyl-[(2S)-octan-2-yl]azanium Traditional Name: 3-methoxypropyl-[(1S)-1-methylheptyl]ammonium Formula: C12H28NO+ MolecularWeight: 202.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCCOC

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCCOC

InChI

InChI=1S/C12H27NO/c1-4-5-6-7-9-12(2)13-10-8-11-14-3/h12-13H,4-11H2,1-3H3/p+1/t12-/m0/s1