6,7-bis(oxidanyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride

Systemtic Name: 6,7-bis(oxidanyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride Openeye Name: 6,7-dihydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride CAS Name: 6,7-dihydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one chloride IUPAC Name: 6,7-dihydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one chloride Traditional Name: 6,7-dihydroxy-8-(piperidin-1-ium-1-ylmethyl)coumarin chloride Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C3C(=CC(=C2O)O)C=CC(=O)O3.[Cl-]

InChI

InChI=1S/C15H17NO4.ClH/c17-12-8-10-4-5-13(18)20-15(10)11(14(12)19)9-16-6-2-1-3-7-16;/h4-5,8,17,19H,1-3,6-7,9H2;1H