2,3-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride

Systemtic Name: 2,3-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Openeye Name: 2,3-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride CAS Name: 2,3-dimethyl-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one chloride IUPAC Name: 2,3-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-4-one chloride Traditional Name: 2,3-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromone chloride Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=C(C=C2)C[NH+]3CCCCC3)C.[Cl-]

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=C(C=C2)C[NH+]3CCCCC3)C.[Cl-]

InChI

InChI=1S/C17H21NO2.ClH/c1-12-13(2)20-16-7-6-14(10-15(16)17(12)19)11-18-8-4-3-5-9-18;/h6-7,10H,3-5,8-9,11H2,1-2H3;1H