[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Openeye Name: [7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride CAS Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium dichloride IUPAC Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Traditional Name: [7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride Formula: C20H28Cl2N2O6 MolecularWeight: 463.35212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC[NH+]3CCOCC3)O)CC(=O)OC.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC[NH+]3CCOCC3)O)CC(=O)OC.[Cl-].[Cl-]

InChI

InChI=1S/C20H26N2O6.2ClH/c1-13-14-3-4-17(23)16(12-21-5-6-22-7-9-27-10-8-22)19(14)28-20(25)15(13)11-18(24)26-2;;/h3-4,21,23H,5-12H2,1-2H3;2*1H