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

Systemtic Name: 2-(4,7-dimethyl-5-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-hydroxy-4,7-dimethyl-2-oxo-chromen-3-yl)acetamide CAS Name: 2-(5-hydroxy-4,7-dimethyl-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-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetamide Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C)C(=C1)O

InChI

InChI=1S/C25H28N2O4/c1-16-12-21(28)24-17(2)20(25(30)31-22(24)13-16)14-23(29)26-19-8-10-27(11-9-19)15-18-6-4-3-5-7-18/h3-7,12-13,19,28H,8-11,14-15H2,1-2H3,(H,26,29)/p+1