4-[3-[3-(dimethylamino)propyl]-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[3-[3-(dimethylamino)propyl]-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]-1,3-thiazol-3-ium-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-anilino-3-[3-(dimethylamino)propyl]thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C24H33N4O2S2+ MolecularWeight: 473.67442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O2S2/c1-5-27(6-2)32(29,30)22-15-13-20(14-16-22)23-19-31-24(25-21-11-8-7-9-12-21)28(23)18-10-17-26(3)4/h7-9,11-16,19H,5-6,10,17-18H2,1-4H3/p+1