(2S)-1-(4-ethylpiperazin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazinyl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-1-yl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazino)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C13H27N4O+ MolecularWeight: 255.37968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C13H26N4O/c1-3-15-8-10-17(11-9-15)13(18)12(2)16-6-4-14-5-7-16/h12,14H,3-11H2,1-2H3/p+1/t12-/m0/s1