3-ethyl-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one chloride

Systemtic Name: 3-ethyl-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one chloride Openeye Name: 3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride CAS Name: 3-ethyl-7-hydroxy-4-methyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one chloride IUPAC Name: 3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one chloride Traditional Name: 3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]coumarin chloride Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCC(C3)C)OC1=O)C.[Cl-]

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCC(C3)C)OC1=O)C.[Cl-]

InChI

InChI=1S/C19H25NO3.ClH/c1-4-14-13(3)15-7-8-17(21)16(18(15)23-19(14)22)11-20-9-5-6-12(2)10-20;/h7-8,12,21H,4-6,9-11H2,1-3H3;1H