3-(3-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(3-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3-(3-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCCC4)OC2=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCCC4)OC2=O

InChI

InChI=1S/C22H23NO4/c1-26-17-7-5-6-15(12-17)18-13-16-8-9-20(24)19(21(16)27-22(18)25)14-23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11,14H2,1H3/p+1