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

Systemtic Name: 2,3-diethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 2,3-diethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 2,3-diethyl-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 2,3-diethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 2,3-diethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3.ClH/c1-3-13-17(4-2)23-19-14(18(13)22)8-9-16(21)15(19)12-20-10-6-5-7-11-20;/h8-9,21H,3-7,10-12H2,1-2H3;1H