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

Systemtic Name: [(3R,5S)-5-methylheptan-3-yl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(1R,3S)-1-ethyl-3-methyl-pentyl]-[(1S)-1-methylbutyl]ammonium CAS Name: [(3R,5S)-5-methylheptan-3-yl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(3R,5S)-5-methylheptan-3-yl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(1R,3S)-1-ethyl-3-methyl-pentyl]-[(1S)-1-methylbutyl]ammonium Formula: C13H30N+ MolecularWeight: 200.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N/c1-6-9-12(5)14-13(8-3)10-11(4)7-2/h11-14H,6-10H2,1-5H3/p+1/t11-,12-,13+/m0/s1