4-(4-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(4-methoxyphenyl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-(4-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=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH+]4CCCCC4)O

InChI

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