[(3S,4S)-4-azaniumylheptan-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [(3S,4S)-4-azaniumylheptan-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(1S,2S)-2-azaniumyl-1-ethyl-pentyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S,4S)-4-ammonioheptan-3-yl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S,4S)-4-azaniumylheptan-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(1S,2S)-2-ammonio-1-ethyl-pentyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C15H29N3+2 MolecularWeight: 251.41086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3/c1-4-8-14(16)15(5-2)18(3)12-10-13-9-6-7-11-17-13/h6-7,9,11,14-15H,4-5,8,10,12,16H2,1-3H3/p+2/t14-,15-/m0/s1