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

Systemtic Name: 2-ethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 2-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 2-ethyl-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 2-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 2-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C17H21NO3.ClH/c1-2-12-10-16(20)13-6-7-15(19)14(17(13)21-12)11-18-8-4-3-5-9-18;/h6-7,10,19H,2-5,8-9,11H2,1H3;1H