5-methoxy-4-oxidanylidene-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 5-methoxy-4-oxidanylidene-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 5-methoxy-4-oxo-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 5-methoxy-4-oxo-2-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 5-methoxy-4-oxo-2-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-5-methoxy-2-phenyl-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=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO4/c1-26-20-12-17(24)16(14-23-10-6-3-7-11-23)22-21(20)18(25)13-19(27-22)15-8-4-2-5-9-15/h2,4-5,8-9,12-13,24H,3,6-7,10-11,14H2,1H3