N-(2-ethylphenyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(2-ethylphenyl)-2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2-ethylphenyl)-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C21H29N5O2+2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H27N5O2/c1-2-17-7-3-4-8-18(17)24-20(27)15-23-21(28)16-25-11-13-26(14-12-25)19-9-5-6-10-22-19/h3-10H,2,11-16H2,1H3,(H,23,28)(H,24,27)/p+2