[(3S,5S)-5-methylheptan-3-yl]-[(2S)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-[(2S)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[(1S)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2S)-1-hydroxybutan-2-yl]-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: [(2S)-1-hydroxybutan-2-yl]-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[(1S)-1-methylolpropyl]ammonium Formula: C12H28NO+ MolecularWeight: 202.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27NO/c1-5-10(4)8-11(6-2)13-12(7-3)9-14/h10-14H,5-9H2,1-4H3/p+1/t10-,11-,12-/m0/s1