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

Systemtic Name: 2-methyl-4-oxidanylidene-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 2-methyl-4-oxo-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 2-methyl-4-oxo-3-phenyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 2-methyl-4-oxo-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-2-methyl-3-phenyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO3/c1-15-20(16-8-4-2-5-9-16)21(25)17-10-11-19(24)18(22(17)26-15)14-23-12-6-3-7-13-23/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3