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

Systemtic Name: N-phenyl-3-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: N-phenyl-3-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: N-phenyl-3-propyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: N-phenyl-3-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: phenyl-[3-propyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]amine Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-2-14-25-21(17-28-22(25)23-19-8-4-3-5-9-19)18-10-12-20(13-11-18)29(26,27)24-15-6-7-16-24/h3-5,8-13,17H,2,6-7,14-16H2,1H3/p+1