(2S)-2-(4-ethylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-2-yl-ethanone

Systemtic Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-2-yl-ethanone Openeye Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-(2-pyridyl)ethanone CAS Name: (2S)-2-(4-ethyl-1-piperazin-1-iumyl)-1-(1-piperazinyl)-2-(2-pyridinyl)ethanone IUPAC Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-2-ylethanone Traditional Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-1-piperazino-2-(2-pyridyl)ethanone Formula: C17H28N5O+ MolecularWeight: 318.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CC=CC=N2)C(=O)N3CCNCC3

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C2=CC=CC=N2)C(=O)N3CCNCC3

InChI

InChI=1S/C17H27N5O/c1-2-20-11-13-21(14-12-20)16(15-5-3-4-6-19-15)17(23)22-9-7-18-8-10-22/h3-6,16,18H,2,7-14H2,1H3/p+1/t16-/m0/s1