N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

Systemtic Name: N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide Openeye Name: N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide CAS Name: N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-carbohydrazide IUPAC Name: N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide Traditional Name: N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-2,3-dihydro-1,4-benzodioxin-6-carbohydrazide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c27-21(8-9-25-10-12-26(13-11-25)18-4-2-1-3-5-18)23-24-22(28)17-6-7-19-20(16-17)30-15-14-29-19/h1-7,16H,8-15H2,(H,23,27)(H,24,28)/p+1