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

Systemtic Name: (2S)-2-ethyl-1-piperazin-4-ium-1-yl-hexan-1-one Openeye Name: (2S)-2-ethyl-1-piperazin-4-ium-1-yl-hexan-1-one CAS Name: (2S)-2-ethyl-1-(1-piperazin-4-iumyl)-1-hexanone IUPAC Name: (2S)-2-ethyl-1-piperazin-4-ium-1-ylhexan-1-one Traditional Name: (2S)-2-ethyl-1-piperazin-4-ium-1-yl-hexan-1-one Formula: C12H25N2O+ MolecularWeight: 213.3397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CC[NH2+]CC1

Isomeric SMILES

CCCC[C@H](CC)C(=O)N1CC[NH2+]CC1

InChI

InChI=1S/C12H24N2O/c1-3-5-6-11(4-2)12(15)14-9-7-13-8-10-14/h11,13H,3-10H2,1-2H3/p+1/t11-/m0/s1