1-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]-1,10-phenanthrolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]-1,10-phenanthrolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-methylbenzenesulfonate; 1-[2-[(2S,3S)-3-vinyloxiran-2-yl]ethyl]-1,10-phenanthrolin-1-ium CAS Name: 1-[2-[(2S,3S)-3-ethenyl-2-oxiranyl]ethyl]-1,10-phenanthrolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]-1,10-phenanthrolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-[2-[(2S,3S)-3-vinyloxiran-2-yl]ethyl]-1,10-phenanthrolin-1-ium tosylate Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC1C(O1)CC[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=C[C@H]1[C@@H](O1)CC[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3

InChI

InChI=1S/C18H17N2O.C7H8O3S/c1-2-15-16(21-15)9-12-20-11-4-6-14-8-7-13-5-3-10-19-17(13)18(14)20;1-6-2-4-7(5-3-6)11(8,9)10/h2-8,10-11,15-16H,1,9,12H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t15-,16-;/m0./s1