N-[(2S)-2-ethylhexyl]-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]ethanamide Openeye Name: N-[(2S)-2-ethylhexyl]-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide CAS Name: N-[(2S)-2-ethylhexyl]-2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]acetamide IUPAC Name: N-[(2S)-2-ethylhexyl]-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide Traditional Name: N-[(2S)-2-ethylhexyl]-2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]acetamide Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C21H34N4O3/c1-3-5-8-18(4-2)15-23-20(26)16-28-17-21(27)25-13-11-24(12-14-25)19-9-6-7-10-22-19/h6-7,9-10,18H,3-5,8,11-17H2,1-2H3,(H,23,26)/p+1/t18-/m0/s1