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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O2/c1-13-5-6-14(19)11-15(13)23-9-7-22(8-10-23)12-16(24)20-17(25)21-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H2,20,21,24,25)/p+1