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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN4O2/c1-17-19(23)8-5-9-20(17)25-21(28)14-24-22(29)16-27-12-10-26(11-13-27)15-18-6-3-2-4-7-18/h2-9H,10-16H2,1H3,(H,24,29)(H,25,28)/p+1