3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chloro-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1,3-benzoxazol-2-one Formula: C20H22ClN3O4+2 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C20H20ClN3O4/c21-15-2-3-16-18(10-15)28-20(25)24(16)12-23-7-5-22(6-8-23)11-14-1-4-17-19(9-14)27-13-26-17/h1-4,9-10H,5-8,11-13H2/p+2