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

Systemtic Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-4-yl-ethanone Openeye Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-(4-pyridyl)ethanone CAS Name: (2S)-2-(4-methyl-1-piperazin-1-iumyl)-1-(1-piperazinyl)-2-pyridin-4-ylethanone IUPAC Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-4-ylethanone Traditional Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazino-2-(4-pyridyl)ethanone Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C(C2=CC=NC=C2)C(=O)N3CCNCC3

Isomeric SMILES

CN1CC[NH+](CC1)[C@@H](C2=CC=NC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C16H25N5O/c1-19-10-12-20(13-11-19)15(14-2-4-17-5-3-14)16(22)21-8-6-18-7-9-21/h2-5,15,18H,6-13H2,1H3/p+1/t15-/m0/s1