[(3S,5R)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-dibutyl-azanium

Systemtic Name: [(3S,5R)-3-(azaniumylmethyl)-5-methyl-heptan-3-yl]-dibutyl-azanium Openeye Name: [(1S,3R)-1-(azaniumylmethyl)-1-ethyl-3-methyl-pentyl]-dibutyl-ammonium CAS Name: [(3S,5R)-3-(ammoniomethyl)-5-methylheptan-3-yl]-dibutylammonium IUPAC Name: [(3S,5R)-3-(azaniumylmethyl)-5-methylheptan-3-yl]-dibutylazanium Traditional Name: [(1S,3R)-1-(ammoniomethyl)-1-ethyl-3-methyl-pentyl]-dibutyl-ammonium Formula: C17H40N2+2 MolecularWeight: 272.5129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[NH+](CCCC)[C@@](CC)(C[C@H](C)CC)C[NH3+]

InChI

InChI=1S/C17H38N2/c1-6-10-12-19(13-11-7-2)17(9-4,15-18)14-16(5)8-3/h16H,6-15,18H2,1-5H3/p+2/t16-,17+/m1/s1