2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[4-methyl-5,7-bis(oxidanyl)-2-oxidanylidene-chromen-3-yl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5,7-dihydroxy-4-methyl-2-oxo-chromen-3-yl)acetamide CAS Name: 2-(5,7-dihydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5,7-dihydroxy-2-keto-4-methyl-chromen-3-yl)acetamide Formula: C24H27N2O5+ MolecularWeight: 423.48158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5/c1-15-19(24(30)31-21-12-18(27)11-20(28)23(15)21)13-22(29)25-17-7-9-26(10-8-17)14-16-5-3-2-4-6-16/h2-6,11-12,17,27-28H,7-10,13-14H2,1H3,(H,25,29)/p+1