3-(4-bromophenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(4-bromophenyl)-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(4-bromophenyl)-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C20H19BrNO3+ MolecularWeight: 401.27376

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=C(C=C4)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO3/c21-14-5-3-13(4-6-14)17-12-25-20-15(19(17)24)7-8-18(23)16(20)11-22-9-1-2-10-22/h3-8,12,23H,1-2,9-11H2/p+1