4-ethyl-7-methyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate

Systemtic Name: 4-ethyl-7-methyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate Openeye Name: 4-ethyl-7-methyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate CAS Name: 4-ethyl-7-methyl-2-oxo-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-5-olate IUPAC Name: 4-ethyl-7-methyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate Traditional Name: 4-ethyl-2-keto-7-methyl-6-(piperidin-1-ium-1-ylmethyl)chromen-5-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCCC3)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C[NH+]3CCCCC3)[O-]

InChI

InChI=1S/C18H23NO3/c1-3-13-10-16(20)22-15-9-12(2)14(18(21)17(13)15)11-19-7-5-4-6-8-19/h9-10,21H,3-8,11H2,1-2H3