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

Systemtic Name: N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-(phenylmethyl)ethanediamide Openeye Name: N-benzyl-N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide CAS Name: N'-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-N-(phenylmethyl)oxamide IUPAC Name: N-benzyl-N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]oxamide Traditional Name: N-benzyl-N'-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]oxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-2-26-11-13-27(14-12-26)20(19-9-6-10-23-16-19)17-25-22(29)21(28)24-15-18-7-4-3-5-8-18/h3-10,16,20H,2,11-15,17H2,1H3,(H,24,28)(H,25,29)/p+1/t20-/m1/s1