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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chloranyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chloro-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-chloro-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-chlorochromen-2-one Traditional Name: 6-chloro-4-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C22H23ClN2O4+2 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN2O4/c23-17-2-4-19-18(11-17)16(10-22(26)29-19)13-25-7-5-24(6-8-25)12-15-1-3-20-21(9-15)28-14-27-20/h1-4,9-11H,5-8,12-14H2/p+2