[(2S,3S)-3-azaniumylpentan-2-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(2S,3S)-3-azaniumylpentan-2-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(1S,2S)-2-azaniumyl-1-methyl-butyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S,3S)-3-ammoniopentan-2-yl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S,3S)-3-azaniumylpentan-2-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(1S,2S)-2-ammonio-1-methyl-butyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C13H25N3+2 MolecularWeight: 223.3577

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)[NH+](C)CCC1=CC=CC=N1)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)[NH+](C)CCC1=CC=CC=N1)[NH3+]

InChI

InChI=1S/C13H23N3/c1-4-13(14)11(2)16(3)10-8-12-7-5-6-9-15-12/h5-7,9,11,13H,4,8,10,14H2,1-3H3/p+2/t11-,13-/m0/s1