2,3-dimethyl-6-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride

Systemtic Name: 2,3-dimethyl-6-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride Openeye Name: 2,3-dimethyl-6-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride CAS Name: 2,3-dimethyl-6-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 2,3-dimethyl-6-(morpholin-4-ium-4-ylmethyl)chromen-4-one chloride Traditional Name: 2,3-dimethyl-6-(morpholin-4-ium-4-ylmethyl)chromone chloride Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=C(C=C2)C[NH+]3CCOCC3)C.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=C(C=C2)C[NH+]3CCOCC3)C.[Cl-]

InChI

InChI=1S/C16H19NO3.ClH/c1-11-12(2)20-15-4-3-13(9-14(15)16(11)18)10-17-5-7-19-8-6-17;/h3-4,9H,5-8,10H2,1-2H3;1H