[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(2S)-pentan-2-yl]azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(1S)-1-methylbutyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[(1S)-1-methylbutyl]ammonium Formula: C13H27N2O+ MolecularWeight: 227.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC(=O)N1CCCCCC1

Isomeric SMILES

CCC[C@H](C)[NH2+]CC(=O)N1CCCCCC1

InChI

InChI=1S/C13H26N2O/c1-3-8-12(2)14-11-13(16)15-9-6-4-5-7-10-15/h12,14H,3-11H2,1-2H3/p+1/t12-/m0/s1