[(3R,4S)-4-azaniumylheptan-3-yl]-butyl-methyl-azanium

Systemtic Name: [(3R,4S)-4-azaniumylheptan-3-yl]-butyl-methyl-azanium Openeye Name: [(1R,2S)-2-azaniumyl-1-ethyl-pentyl]-butyl-methyl-ammonium CAS Name: [(3R,4S)-4-ammonioheptan-3-yl]-butyl-methylammonium IUPAC Name: [(3R,4S)-4-azaniumylheptan-3-yl]-butyl-methylazanium Traditional Name: [(1R,2S)-2-ammonio-1-ethyl-pentyl]-butyl-methyl-ammonium Formula: C12H30N2+2 MolecularWeight: 202.38

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H28N2/c1-5-8-10-14(4)12(7-3)11(13)9-6-2/h11-12H,5-10,13H2,1-4H3/p+2/t11-,12+/m0/s1