N-(3-chloranyl-2-methyl-phenyl)-2-[2-(4-phenethylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-(4-phenethylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-(4-phenethylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[1-oxo-2-(4-phenethyl-1-piperazin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[2-(4-phenethylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-(4-phenethylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29ClN4O2/c1-18-20(24)8-5-9-21(18)26-22(29)16-25-23(30)17-28-14-12-27(13-15-28)11-10-19-6-3-2-4-7-19/h2-9H,10-17H2,1H3,(H,25,30)(H,26,29)/p+1