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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c22-16-2-1-3-18(14-16)25-10-8-24(9-11-25)7-6-21(26)23-17-4-5-19-20(15-17)28-13-12-27-19/h1-5,14-15H,6-13H2,(H,23,26)/p+1