4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)phenanthro[9,10-d][1,3]oxazole

Systemtic Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)phenanthro[9,10-d][1,3]oxazole Openeye Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)phenanthro[9,10-d]oxazole CAS Name: 4-methylbenzenesulfonate; 2-(1-methyl-4-pyridin-1-iumyl)phenanthro[9,10-d]oxazole IUPAC Name: 4-methylbenzenesulfonate; 2-(1-methylpyridin-1-ium-4-yl)phenanthro[9,10-d][1,3]oxazole Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)phenanthro[9,10-d]oxazole tosylate Formula: C28H22N2O4S MolecularWeight: 482.55028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C21H15N2O.C7H8O3S/c1-23-12-10-14(11-13-23)21-22-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20(19)24-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1