4-[3-(3-methoxypropyl)-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[3-(3-methoxypropyl)-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[2-anilino-3-(3-methoxypropyl)thiazol-3-ium-4-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-(3-methoxypropyl)-4-thiazol-3-iumyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-(3-methoxypropyl)-1,3-thiazol-3-ium-4-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[2-anilino-3-(3-methoxypropyl)thiazol-3-ium-4-yl]-N,N-dimethyl-benzenesulfonamide Formula: C21H26N3O3S2+ MolecularWeight: 432.57944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCCOC)NC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCCOC)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-23(2)29(25,26)19-12-10-17(11-13-19)20-16-28-21(24(20)14-7-15-27-3)22-18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3/p+1