2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H23ClN3O4+ MolecularWeight: 416.87802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O4/c22-17-4-2-1-3-16(17)21(27)25-9-7-24(8-10-25)14-20(26)23-15-5-6-18-19(13-15)29-12-11-28-18/h1-6,13H,7-12,14H2,(H,23,26)/p+1