6-ethyl-4-methyl-7-oxidanyl-8-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-8-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-methyl-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-8-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-methylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-methyl-coumarin Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)O)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C18H23NO4/c1-3-12-9-14-11(2)8-16(21)23-18(14)15(17(12)22)10-19-6-4-13(20)5-7-19/h8-9,13,20,22H,3-7,10H2,1-2H3/p+1