3-[2-[(E)-2-phenylazanylethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(E)-2-phenylazanylethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(E)-2-anilinovinyl]-4,5-dihydrothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(E)-2-anilinoethenyl]-4,5-dihydrothiazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(E)-2-anilinoethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(E)-2-anilinovinyl]-2-thiazolin-3-ium-3-yl]propane-1-sulfonic acid Formula: C14H19N2O3S2+ MolecularWeight: 327.44226

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+]1CCCS(=O)(=O)O)C=CNC2=CC=CC=C2

Isomeric SMILES

C1CSC(=[N+]1CCCS(=O)(=O)O)/C=C/NC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3S2/c17-21(18,19)12-4-9-16-10-11-20-14(16)7-8-15-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,17,18,19)/p+1