4-(3-butyl-2-phenylazanyl-1,3-thiazol-3-ium-4-yl)-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-(3-butyl-2-phenylazanyl-1,3-thiazol-3-ium-4-yl)-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-(2-anilino-3-butyl-thiazol-3-ium-4-yl)-N,N-dimethyl-benzenesulfonamide CAS Name: 4-(2-anilino-3-butyl-4-thiazol-3-iumyl)-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-(2-anilino-3-butyl-1,3-thiazol-3-ium-4-yl)-N,N-dimethylbenzenesulfonamide Traditional Name: 4-(2-anilino-3-butyl-thiazol-3-ium-4-yl)-N,N-dimethyl-benzenesulfonamide Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-4-5-15-24-20(16-27-21(24)22-18-9-7-6-8-10-18)17-11-13-19(14-12-17)28(25,26)23(2)3/h6-14,16H,4-5,15H2,1-3H3/p+1