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

Systemtic Name: 3-(2-methoxyethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(2-methoxyethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-(2-methoxyethyl)-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-(2-methoxyethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(2-methoxyethyl)-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C22H26N3O3S2+ MolecularWeight: 444.59014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-28-16-15-25-21(17-29-22(25)23-19-7-3-2-4-8-19)18-9-11-20(12-10-18)30(26,27)24-13-5-6-14-24/h2-4,7-12,17H,5-6,13-16H2,1H3/p+1