3-ethyl-7-methoxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride

Systemtic Name: 3-ethyl-7-methoxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride Openeye Name: 3-ethyl-7-methoxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride CAS Name: 3-ethyl-7-methoxy-2-methyl-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 3-ethyl-7-methoxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride Traditional Name: 3-ethyl-7-methoxy-2-methyl-8-(morpholin-4-ium-4-ylmethyl)chromone chloride Formula: C18H24ClNO4 MolecularWeight: 353.84046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCOCC3)OC)C.[Cl-]

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCOCC3)OC)C.[Cl-]

InChI

InChI=1S/C18H23NO4.ClH/c1-4-13-12(2)23-18-14(17(13)20)5-6-16(21-3)15(18)11-19-7-9-22-10-8-19;/h5-6H,4,7-11H2,1-3H3;1H