4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloranyl-7-oxidanyl-chromen-2-one dihydrochloride

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloranyl-7-oxidanyl-chromen-2-one dihydrochloride Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-hydroxy-chromen-2-one dihydrochloride CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6-chloro-7-hydroxy-1-benzopyran-2-one dihydrochloride IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-hydroxychromen-2-one dihydrochloride Traditional Name: 6-chloro-7-hydroxy-4-[(4-piperonylpiperazino)methyl]coumarin dihydrochloride Formula: C22H23Cl3N2O5 MolecularWeight: 501.78742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=CC(=C(C=C45)Cl)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=CC(=C(C=C45)Cl)O.Cl.Cl

InChI

InChI=1S/C22H21ClN2O5.2ClH/c23-17-9-16-15(8-22(27)30-20(16)10-18(17)26)12-25-5-3-24(4-6-25)11-14-1-2-19-21(7-14)29-13-28-19;;/h1-2,7-10,26H,3-6,11-13H2;2*1H