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

Systemtic Name: N,N-diethyl-4-[2-[(4-methylphenyl)amino]-3-pentyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-methylanilino)-3-pentyl-thiazol-3-ium-4-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-methylanilino)-3-pentyl-4-thiazol-3-iumyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(4-methylanilino)-3-pentyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Traditional Name: 4-[3-amyl-2-(p-toluidino)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C25H34N3O2S2+ MolecularWeight: 472.68636

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S2/c1-5-8-9-18-28-24(19-31-25(28)26-22-14-10-20(4)11-15-22)21-12-16-23(17-13-21)32(29,30)27(6-2)7-3/h10-17,19H,5-9,18H2,1-4H3/p+1