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

Systemtic Name: 3-ethyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-ethyl-N-phenyl-4-[4-(1-piperidylsulfonyl)phenyl]thiazol-3-ium-2-amine CAS Name: 3-ethyl-N-phenyl-4-[4-(1-piperidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-ethyl-N-phenyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-ethyl-4-(4-piperidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)NC4=CC=CC=C4

InChI

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