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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)[C@H]2COC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4/c27-21(10-11-25-12-14-26(15-13-25)17-6-2-1-3-7-17)23-24-22(28)20-16-29-18-8-4-5-9-19(18)30-20/h1-9,20H,10-16H2,(H,23,27)(H,24,28)/p+1/t20-/m1/s1