(6-chloranyl-4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (6-chloranyl-4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (6-chloro-4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (6-chloro-4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (6-chloro-4-ethyl-7-hydroxy-2-oxochromen-8-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (6-chloro-4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C18H25ClN2O4+2 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CC[NH+]3CCOCC3

InChI

InChI=1S/C18H23ClN2O4/c1-2-12-9-16(22)25-18-13(12)10-15(19)17(23)14(18)11-20-3-4-21-5-7-24-8-6-21/h9-10,20,23H,2-8,11H2,1H3/p+2