4-[(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]benzohydrazide

Systemtic Name: 4-[(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]benzohydrazide Openeye Name: 4-[(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxy-propoxy]benzohydrazide CAS Name: 4-[(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-hydroxypropoxy]benzohydrazide IUPAC Name: 4-[(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-hydroxypropoxy]benzohydrazide Traditional Name: 4-[(2R)-2-hydroxy-3-(4-piperonylpiperazin-4-ium-1-yl)propoxy]benzohydrazide Formula: C22H29N4O5+ MolecularWeight: 429.48946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=C(C=C4)C(=O)NN)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C[C@H](COC4=CC=C(C=C4)C(=O)NN)O

InChI

InChI=1S/C22H28N4O5/c23-24-22(28)17-2-4-19(5-3-17)29-14-18(27)13-26-9-7-25(8-10-26)12-16-1-6-20-21(11-16)31-15-30-20/h1-6,11,18,27H,7-10,12-15,23H2,(H,24,28)/p+1/t18-/m1/s1