3-(4-bromophenyl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(4-bromophenyl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C21H21BrNO3+ MolecularWeight: 415.30034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrNO3/c1-13-19(14-4-6-15(22)7-5-14)20(25)16-8-9-18(24)17(21(16)26-13)12-23-10-2-3-11-23/h4-9,24H,2-3,10-12H2,1H3/p+1