6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d][1,3]oxazole; 4-methylbenzenesulfonate

Systemtic Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d][1,3]oxazole; 4-methylbenzenesulfonate Openeye Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d]oxazole; 4-methylbenzenesulfonate CAS Name: 6-methoxy-2-(1-methyl-4-pyridin-1-iumyl)-4H-indeno[2,1-d]oxazole; 4-methylbenzenesulfonate IUPAC Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d][1,3]oxazole; 4-methylbenzenesulfonate Traditional Name: 6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-4H-indeno[2,1-d]oxazole tosylate Formula: C24H22N2O5S MolecularWeight: 450.50688

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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=C(C3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C3)C=C(C=C4)OC

InChI

InChI=1S/C17H15N2O2.C7H8O3S/c1-19-7-5-11(6-8-19)17-18-15-10-12-9-13(20-2)3-4-14(12)16(15)21-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1