3-[6-(benzamidomethyl)imidazo[2,1-b][1,3]thiazol-4-ium-7-yl]propane-1-sulfonate

Systemtic Name: 3-[6-(benzamidomethyl)imidazo[2,1-b][1,3]thiazol-4-ium-7-yl]propane-1-sulfonate Openeye Name: 3-[6-(benzamidomethyl)imidazo[2,1-b]thiazol-4-ium-7-yl]propane-1-sulfonate CAS Name: 3-[6-(benzamidomethyl)-7-imidazo[2,1-b]thiazol-4-iumyl]-1-propanesulfonate IUPAC Name: 3-[6-(benzamidomethyl)imidazo[2,1-b][1,3]thiazol-4-ium-7-yl]propane-1-sulfonate Traditional Name: 3-[6-(benzamidomethyl)imidazo[2,1-b]thiazol-4-ium-7-yl]propane-1-sulfonate Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=C[N+]3=C(N2CCCS(=O)(=O)[O-])SC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=C[N+]3=C(N2CCCS(=O)(=O)[O-])SC=C3

InChI

InChI=1S/C16H17N3O4S2/c20-15(13-5-2-1-3-6-13)17-11-14-12-18-8-9-24-16(18)19(14)7-4-10-25(21,22)23/h1-3,5-6,8-9,12H,4,7,10-11H2,(H-,17,20,21,22,23)