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

Systemtic Name: 2,3-dimethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 7-hydroxy-2,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 7-hydroxy-2,3-dimethyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 7-hydroxy-2,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 7-hydroxy-2,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)O)C.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2C[NH+]3CCCCC3)O)C.[Cl-]

InChI

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