ethyl 8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate dihydrochloride

Systemtic Name: ethyl 8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate dihydrochloride Openeye Name: ethyl 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-chromene-2-carboxylate dihydrochloride CAS Name: 7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate dihydrochloride Traditional Name: 7-hydroxy-4-keto-8-[(4-methylpiperazino)methyl]chromene-2-carboxylic acid ethyl ester dihydrochloride Formula: C18H24Cl2N2O5 MolecularWeight: 419.29956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN3CCN(CC3)C.Cl.Cl

InChI

InChI=1S/C18H22N2O5.2ClH/c1-3-24-18(23)16-10-15(22)12-4-5-14(21)13(17(12)25-16)11-20-8-6-19(2)7-9-20;;/h4-5,10,21H,3,6-9,11H2,1-2H3;2*1H