2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O2/c1-23(2,3)18-10-8-17(9-11-18)22(29)27-14-12-26(13-15-27)16-21(28)25-20-7-5-4-6-19(20)24/h4-11H,12-16H2,1-3H3,(H,25,28)/p+1