4-(2-azanyl-4-phenyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonate

Systemtic Name: 4-(2-azanyl-4-phenyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(2-amino-4-phenyl-thiazol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(2-amino-4-phenyl-3-thiazol-3-iumyl)-1-butanesulfonate IUPAC Name: 4-(2-amino-4-phenyl-1,3-thiazol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(2-amino-4-phenyl-thiazol-3-ium-3-yl)butane-1-sulfonate Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=[N+]2CCCCS(=O)(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=[N+]2CCCCS(=O)(=O)[O-])N

InChI

InChI=1S/C13H16N2O3S2/c14-13-15(8-4-5-9-20(16,17)18)12(10-19-13)11-6-2-1-3-7-11/h1-3,6-7,10,14H,4-5,8-9H2,(H,16,17,18)