6-chloranyl-2-oxidanylidene-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-2-oxidanylidene-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 6-chloro-2-oxo-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 6-chloro-2-oxo-4-phenyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 6-chloro-2-keto-4-phenyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClNO3/c21-17-10-15-14(13-6-2-1-3-7-13)11-18(23)25-20(15)16(19(17)24)12-22-8-4-5-9-22/h1-3,6-7,10-11,24H,4-5,8-9,12H2