N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(1-oxo-2,2-diphenylethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c1-21-10-9-11-22(2)27(21)29-25(32)20-30-16-18-31(19-17-30)28(33)26(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-15,26H,16-20H2,1-2H3,(H,29,32)/p+1