[(2S)-1-azaniumyl-2,5-dimethyl-hexan-2-yl]-butyl-methyl-azanium

Systemtic Name: [(2S)-1-azaniumyl-2,5-dimethyl-hexan-2-yl]-butyl-methyl-azanium Openeye Name: [(1S)-1-(azaniumylmethyl)-1,4-dimethyl-pentyl]-butyl-methyl-ammonium CAS Name: [(2S)-1-ammonio-2,5-dimethylhexan-2-yl]-butyl-methylammonium IUPAC Name: [(2S)-1-azaniumyl-2,5-dimethylhexan-2-yl]-butyl-methylazanium Traditional Name: [(1S)-1-(ammoniomethyl)-1,4-dimethyl-pentyl]-butyl-methyl-ammonium Formula: C13H32N2+2 MolecularWeight: 216.40658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C)(CCC(C)C)C[NH3+]

Isomeric SMILES

CCCC[NH+](C)[C@@](C)(CCC(C)C)C[NH3+]

InChI

InChI=1S/C13H30N2/c1-6-7-10-15(5)13(4,11-14)9-8-12(2)3/h12H,6-11,14H2,1-5H3/p+2/t13-/m0/s1