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

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-(2-methylpropyl)azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-isobutyl-ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-(2-methylpropyl)ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-(2-methylpropyl)azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-isobutyl-ammonium Formula: C12H28N+ MolecularWeight: 186.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N/c1-6-11(5)8-12(7-2)13-9-10(3)4/h10-13H,6-9H2,1-5H3/p+1/t11-,12-/m0/s1