4-[2-azanyl-4-(4-phenoxyphenyl)-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate

Systemtic Name: 4-[2-azanyl-4-(4-phenoxyphenyl)-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate Openeye Name: 4-[2-amino-4-(4-phenoxyphenyl)thiazol-3-ium-3-yl]butane-1-sulfonate CAS Name: 4-[2-amino-4-(4-phenoxyphenyl)-3-thiazol-3-iumyl]-1-butanesulfonate IUPAC Name: 4-[2-amino-4-(4-phenoxyphenyl)-1,3-thiazol-3-ium-3-yl]butane-1-sulfonate Traditional Name: 4-[2-amino-4-(4-phenoxyphenyl)thiazol-3-ium-3-yl]butane-1-sulfonate Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=[N+]3CCCCS(=O)(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=[N+]3CCCCS(=O)(=O)[O-])N

InChI

InChI=1S/C19H20N2O4S2/c20-19-21(12-4-5-13-27(22,23)24)18(14-26-19)15-8-10-17(11-9-15)25-16-6-2-1-3-7-16/h1-3,6-11,14,20H,4-5,12-13H2,(H,22,23,24)