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

Systemtic Name: 4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[2-anilino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiazol-3-ium-4-yl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiazol-3-iumyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-3-ium-4-yl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-(2-anilino-3-homoveratryl-thiazol-3-ium-4-yl)-N,N-dimethyl-benzenesulfonamide Formula: C27H30N3O4S2+ MolecularWeight: 524.6748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCC3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCC3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S2/c1-29(2)36(31,32)23-13-11-21(12-14-23)24-19-35-27(28-22-8-6-5-7-9-22)30(24)17-16-20-10-15-25(33-3)26(18-20)34-4/h5-15,18-19H,16-17H2,1-4H3/p+1