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

Systemtic Name: 4-methyl-2-oxidanylidene-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 4-methyl-2-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-methyl-2-oxo-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 4-methyl-2-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-4-methyl-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21NO3/c1-14-16-9-10-18(23)17(13-22-11-5-6-12-22)20(16)25-21(24)19(14)15-7-3-2-4-8-15/h2-4,7-10,23H,5-6,11-13H2,1H3