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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: N-tert-amyl-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29ClN3O+ MolecularWeight: 338.89536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C18H28ClN3O/c1-5-18(3,4)20-17(23)13-21-8-10-22(11-9-21)16-12-15(19)7-6-14(16)2/h6-7,12H,5,8-11,13H2,1-4H3,(H,20,23)/p+1