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

Systemtic Name: 3-(2-methoxyphenyl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(2-methoxyphenyl)-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C22H24NO4+ MolecularWeight: 366.43026

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=CC=C4OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H23NO4/c1-14-20(15-7-3-4-8-19(15)26-2)21(25)16-9-10-18(24)17(22(16)27-14)13-23-11-5-6-12-23/h3-4,7-10,24H,5-6,11-13H2,1-2H3/p+1