4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonic acid Openeye Name: 4-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]benzenesulfonic acid CAS Name: 4-[(4-phenyl-3-prop-2-enyl-2-thiazol-3-iumyl)amino]benzenesulfonic acid IUPAC Name: 4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonic acid Traditional Name: 4-[(3-allyl-4-phenyl-thiazol-3-ium-2-yl)amino]besylic acid Formula: C18H17N2O3S2+ MolecularWeight: 373.46918

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H16N2O3S2/c1-2-12-20-17(14-6-4-3-5-7-14)13-24-18(20)19-15-8-10-16(11-9-15)25(21,22)23/h2-11,13H,1,12H2,(H,21,22,23)/p+1