ethyl 3-[4,8-dimethyl-7-oxidanyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[4,8-dimethyl-7-oxidanyl-2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]propanoate Openeye Name: ethyl 3-[7-hydroxy-4,8-dimethyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]propanoate CAS Name: 3-[7-hydroxy-4,8-dimethyl-2-oxo-6-(1-piperidin-1-iumylmethyl)-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-hydroxy-4,8-dimethyl-2-oxo-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]propanoate Traditional Name: 3-[7-hydroxy-2-keto-4,8-dimethyl-6-(piperidin-1-ium-1-ylmethyl)chromen-3-yl]propionic acid ethyl ester Formula: C22H30NO5+ MolecularWeight: 388.4773

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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/p+1