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

Systemtic Name: 3-(4-chlorophenyl)-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-chlorophenyl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-chlorophenyl)-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-chlorophenyl)-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(4-chlorophenyl)-2-keto-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=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO3/c21-15-6-3-13(4-7-15)16-11-14-5-8-18(23)17(19(14)25-20(16)24)12-22-9-1-2-10-22/h3-8,11,23H,1-2,9-10,12H2