[1-[(2S)-2-ethylhexanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-2-ethylhexanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-2-ethylhexanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-2-ethyl-1-oxohexyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-2-ethylhexanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-2-ethylhexanoyl]-4-piperidyl]ammonium Formula: C13H27N2O+ MolecularWeight: 227.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCC(CC1)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CCC(CC1)[NH3+]

InChI

InChI=1S/C13H26N2O/c1-3-5-6-11(4-2)13(16)15-9-7-12(14)8-10-15/h11-12H,3-10,14H2,1-2H3/p+1/t11-/m0/s1