2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C18H27ClN4O2/c1-13(2)11-20-18(25)21-17(24)12-22-6-8-23(9-7-22)16-10-15(19)5-4-14(16)3/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,20,21,24,25)/p+1