5-methoxy-7-oxidanyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 5-methoxy-7-oxidanyl-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-5-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-5-methoxy-2-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-5-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-5-methoxy-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)C[NH+]4CCCCC4)O

InChI

InChI=1S/C22H23NO4/c1-26-20-12-17(24)16(14-23-10-6-3-7-11-23)22-21(20)18(25)13-19(27-22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,24H,3,6-7,10-11,14H2,1H3/p+1