(2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-3-yl-ethanone

Systemtic Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-3-yl-ethanone Openeye Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-(3-pyridyl)ethanone CAS Name: (2S)-2-(4-methyl-1-piperazin-1-iumyl)-1-(1-piperazinyl)-2-(3-pyridinyl)ethanone IUPAC Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazin-1-yl-2-pyridin-3-ylethanone Traditional Name: (2S)-2-(4-methylpiperazin-1-ium-1-yl)-1-piperazino-2-(3-pyridyl)ethanone Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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