N'-[(2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-2-pyridin-3-yl-ethyl]-N-(pyridin-4-ylmethyl)ethanediamide

Systemtic Name: N'-[(2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-2-pyridin-3-yl-ethyl]-N-(pyridin-4-ylmethyl)ethanediamide Openeye Name: N'-[(2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-2-(3-pyridyl)ethyl]-N-(4-pyridylmethyl)oxamide CAS Name: N'-[(2S)-2-(4-ethyl-1-piperazine-1,4-diiumyl)-2-(3-pyridinyl)ethyl]-N-(pyridin-4-ylmethyl)oxamide IUPAC Name: N'-[(2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-4-ylmethyl)oxamide Traditional Name: N'-[(2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-2-(3-pyridyl)ethyl]-N-(4-pyridylmethyl)oxamide Formula: C21H30N6O2+2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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