6-[[2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl]sulfonyl]chromen-2-one

Systemtic Name: 6-[[2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl]sulfonyl]chromen-2-one Openeye Name: 6-[(2-benzyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)sulfonyl]chromen-2-one CAS Name: 6-[[2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl]sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-[(2-benzyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)sulfonyl]chromen-2-one Traditional Name: 6-[(2-benzyl-2-imidazolin-1-ium-1-yl)sulfonyl]coumarin Formula: C19H17N2O4S+ MolecularWeight: 369.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1C[N+](=C(N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C19H16N2O4S/c22-19-9-6-15-13-16(7-8-17(15)25-19)26(23,24)21-11-10-20-18(21)12-14-4-2-1-3-5-14/h1-9,13H,10-12H2/p+1