2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H33N3O2/c1-18-7-6-8-19(2)23(18)26-22(29)17-27-13-15-28(16-14-27)24(30)20-9-11-21(12-10-20)25(3,4)5/h6-12H,13-17H2,1-5H3,(H,26,29)/p+1