benzenesulfonate; 2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-amine

Systemtic Name: benzenesulfonate; 2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-amine Openeye Name: benzenesulfonate; 2,7-diphenylthiazolo[3,2-a]pyrimidin-4-ium-3-amine CAS Name: benzenesulfonate; 2,7-diphenyl-3-thiazolo[3,2-a]pyrimidin-4-iumamine IUPAC Name: benzenesulfonate; 2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-amine Traditional Name: (2,7-diphenylthiazolo[3,2-a]pyrimidin-4-ium-3-yl)amine besylate Formula: C24H19N3O3S2 MolecularWeight: 461.55596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=[N+](C=C2)C(=C(S3)C4=CC=CC=C4)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=[N+](C=C2)C(=C(S3)C4=CC=CC=C4)N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H14N3S.C6H6O3S/c19-17-16(14-9-5-2-6-10-14)22-18-20-15(11-12-21(17)18)13-7-3-1-4-8-13;7-10(8,9)6-4-2-1-3-5-6/h1-12H,19H2;1-5H,(H,7,8,9)/q+1;/p-1