3-(2-methoxyphenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2-methoxyphenyl)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2-methoxyphenyl)-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenyl)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenyl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCC4)[O-]

InChI

InChI=1S/C22H23NO4/c1-26-20-8-4-3-7-15(20)18-14-27-22-16(21(18)25)9-10-19(24)17(22)13-23-11-5-2-6-12-23/h3-4,7-10,14,24H,2,5-6,11-13H2,1H3