6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-oxidanyl-4-phenyl-8-prop-2-enyl-chromen-2-one dihydrochloride

Systemtic Name: 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-oxidanyl-4-phenyl-8-prop-2-enyl-chromen-2-one dihydrochloride Openeye Name: 8-allyl-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-phenyl-chromen-2-one dihydrochloride CAS Name: 7-hydroxy-6-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-phenyl-8-prop-2-enyl-1-benzopyran-2-one dihydrochloride IUPAC Name: 7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-phenyl-8-prop-2-enylchromen-2-one dihydrochloride Traditional Name: 8-allyl-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazino]methyl]-4-phenyl-coumarin dihydrochloride Formula: C25H30Cl2N2O4 MolecularWeight: 493.4227

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C2C(=CC(=C1O)CN3CCN(CC3)CCO)C(=CC(=O)O2)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C=CCC1=C2C(=CC(=C1O)CN3CCN(CC3)CCO)C(=CC(=O)O2)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H28N2O4.2ClH/c1-2-6-20-24(30)19(17-27-11-9-26(10-12-27)13-14-28)15-22-21(16-23(29)31-25(20)22)18-7-4-3-5-8-18;;/h2-5,7-8,15-16,28,30H,1,6,9-14,17H2;2*1H