N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide

Systemtic Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-N-(3-pyridylmethyl)oxamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNC(=O)C(=O)NCC2=CN=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NCC2=CN=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H28N6O2/c1-2-26-9-11-27(12-10-26)19(18-6-4-8-23-15-18)16-25-21(29)20(28)24-14-17-5-3-7-22-13-17/h3-8,13,15,19H,2,9-12,14,16H2,1H3,(H,24,28)(H,25,29)/p+1/t19-/m1/s1