benzenesulfonate; 7-(4-methoxyphenyl)-5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-amine

Systemtic Name: benzenesulfonate; 7-(4-methoxyphenyl)-5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-amine Openeye Name: benzenesulfonate; 7-(4-methoxyphenyl)-5-methyl-2-phenyl-thiazolo[3,2-a]pyrimidin-4-ium-3-amine CAS Name: benzenesulfonate; 7-(4-methoxyphenyl)-5-methyl-2-phenyl-3-thiazolo[3,2-a]pyrimidin-4-iumamine IUPAC Name: benzenesulfonate; 7-(4-methoxyphenyl)-5-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-amine Traditional Name: [7-(4-methoxyphenyl)-5-methyl-2-phenyl-thiazolo[3,2-a]pyrimidin-4-ium-3-yl]amine besylate Formula: C26H23N3O4S2 MolecularWeight: 505.60852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=C(SC2=NC(=C1)C3=CC=C(C=C3)OC)C4=CC=CC=C4)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+]2C(=C(SC2=NC(=C1)C3=CC=C(C=C3)OC)C4=CC=CC=C4)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18N3OS.C6H6O3S/c1-13-12-17(14-8-10-16(24-2)11-9-14)22-20-23(13)19(21)18(25-20)15-6-4-3-5-7-15;7-10(8,9)6-4-2-1-3-5-6/h3-12H,21H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1