(2S)-1-(1,4-diazepan-4-ium-1-yl)-2-ethyl-hexan-1-one

Systemtic Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-ethyl-hexan-1-one Openeye Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-ethyl-hexan-1-one CAS Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-ethyl-1-hexanone IUPAC Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-ethylhexan-1-one Traditional Name: (2S)-1-(1,4-diazepan-4-ium-1-yl)-2-ethyl-hexan-1-one Formula: C13H27N2O+ MolecularWeight: 227.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CCC[NH2+]CC1

InChI

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