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

Systemtic Name: 3-[2-azanyl-4-(4-phenoxyphenyl)-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-amino-4-(4-phenoxyphenyl)thiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-amino-4-(4-phenoxyphenyl)-3-thiazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-amino-4-(4-phenoxyphenyl)-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-amino-4-(4-phenoxyphenyl)thiazol-3-ium-3-yl]propane-1-sulfonate Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c19-18-20(11-4-12-26(21,22)23)17(13-25-18)14-7-9-16(10-8-14)24-15-5-2-1-3-6-15/h1-3,5-10,13,19H,4,11-12H2,(H,21,22,23)