2-(2-hydroxyethyloxy)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 2-(2-hydroxyethyloxy)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(2-hydroxyethoxy)ethyl]ammonium CAS Name: 2-(2-hydroxyethoxy)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(2-hydroxyethoxy)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(2-hydroxyethoxy)ethyl]ammonium Formula: C12H28NO2+ MolecularWeight: 218.35622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCOCCO

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCOCCO

InChI

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