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

Systemtic Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[4-(2-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=C4Cl

Isomeric SMILES

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

InChI

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