4-[2-[(4-ethoxyphenyl)amino]-3-pentyl-1,3-thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[2-[(4-ethoxyphenyl)amino]-3-pentyl-1,3-thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-(4-ethoxyanilino)-3-pentyl-thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-(4-ethoxyanilino)-3-pentyl-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-(4-ethoxyanilino)-3-pentyl-1,3-thiazol-3-ium-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[3-amyl-2-(p-phenetidino)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C26H36N3O3S2+ MolecularWeight: 502.71234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N(CC)CC)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N(CC)CC)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C26H35N3O3S2/c1-5-9-10-19-29-25(20-33-26(29)27-22-13-15-23(16-14-22)32-8-4)21-11-17-24(18-12-21)34(30,31)28(6-2)7-3/h11-18,20H,5-10,19H2,1-4H3/p+1