3-ethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-ethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-ethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-ethyl-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-ethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-ethyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-2-24-20(16-27-21(24)22-18-8-4-3-5-9-18)17-10-12-19(13-11-17)28(25,26)23-14-6-7-15-23/h3-5,8-13,16H,2,6-7,14-15H2,1H3/p+1