1-[(7-methyl-6-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(7-methyl-6-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-hydroxy-7-methyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-hydroxy-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-hydroxy-7-methyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-hydroxy-2-keto-7-methyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)C(=O)N)O

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)C(=O)N)O

InChI

InChI=1S/C17H20N2O4/c1-10-6-15-13(8-14(10)20)12(7-16(21)23-15)9-19-4-2-11(3-5-19)17(18)22/h6-8,11,20H,2-5,9H2,1H3,(H2,18,22)/p+1