N-tert-butyl-2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H24N4O2/c1-18(2,3)20-16(23)13-21-8-10-22(11-9-21)17(24)15-6-4-14(12-19)5-7-15/h4-7H,8-11,13H2,1-3H3,(H,20,23)/p+1