3-ethyl-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride

Systemtic Name: 3-ethyl-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 3-ethyl-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 3-ethyl-7-hydroxy-2-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 3-ethyl-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 3-ethyl-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)O)C.[Cl-]

Isomeric SMILES

CCC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)O)C.[Cl-]

InChI

InChI=1S/C18H23NO3.ClH/c1-3-13-12(2)22-18-14(17(13)21)7-8-16(20)15(18)11-19-9-5-4-6-10-19;/h7-8,20H,3-6,9-11H2,1-2H3;1H