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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(1-oxo-2,2-diphenylethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylacetyl)piperazin-1-ium-1-yl]acetamide Formula: C26H27ClN3O2+ MolecularWeight: 448.96448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3O2/c27-22-13-7-8-14-23(22)28-24(31)19-29-15-17-30(18-16-29)26(32)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H,28,31)/p+1