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

Systemtic Name: 4-oxidanylidene-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 4-oxo-3-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 4-oxo-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H19NO3/c22-18-9-8-15-19(23)17(14-6-2-1-3-7-14)13-24-20(15)16(18)12-21-10-4-5-11-21/h1-3,6-9,13,22H,4-5,10-12H2