4-[2-phenylazanyl-3-(phenylmethyl)-1,3-thiazol-3-ium-4-yl]benzene-1,2-diol

Systemtic Name: 4-[2-phenylazanyl-3-(phenylmethyl)-1,3-thiazol-3-ium-4-yl]benzene-1,2-diol Openeye Name: 4-(2-anilino-3-benzyl-thiazol-3-ium-4-yl)benzene-1,2-diol CAS Name: 4-[2-anilino-3-(phenylmethyl)-4-thiazol-3-iumyl]benzene-1,2-diol IUPAC Name: 4-(2-anilino-3-benzyl-1,3-thiazol-3-ium-4-yl)benzene-1,2-diol Traditional Name: 4-(2-anilino-3-benzyl-thiazol-3-ium-4-yl)pyrocatechol Formula: C22H19N2O2S+ MolecularWeight: 375.46346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC(=C(C=C3)O)O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC(=C(C=C3)O)O)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O2S/c25-20-12-11-17(13-21(20)26)19-15-27-22(23-18-9-5-2-6-10-18)24(19)14-16-7-3-1-4-8-16/h1-13,15,25-26H,14H2/p+1