8-(diethylaminomethyl)-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-chromen-2-one

Systemtic Name: 8-(diethylaminomethyl)-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-chromen-2-one Openeye Name: 8-(diethylaminomethyl)-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-2-one CAS Name: 8-(diethylaminomethyl)-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1-benzopyran-2-one IUPAC Name: 8-(diethylaminomethyl)-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-2-one Traditional Name: 8-(diethylaminomethyl)-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)coumarin Formula: C22H24N3O3+ MolecularWeight: 378.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=[N+](C4=CC=CC=C4N3)C)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=[N+](C4=CC=CC=C4N3)C)O

InChI

InChI=1S/C22H23N3O3/c1-4-25(5-2)13-16-19(26)11-10-14-12-15(22(27)28-20(14)16)21-23-17-8-6-7-9-18(17)24(21)3/h6-12H,4-5,13H2,1-3H3,(H,23,26,27)/p+1