3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3-ethoxy-3-oxo-propyl)-4,8-dimethyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(3-ethoxy-3-keto-propyl)-2-keto-4,8-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)[O-])C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)[O-])C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H29NO5/c1-4-27-19(24)9-8-17-14(2)18-12-16(13-23-10-6-5-7-11-23)20(25)15(3)21(18)28-22(17)26/h12,25H,4-11,13H2,1-3H3