2-phenyl-4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-phenyl-4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-phenyl-4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-phenyl-4-[[4-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-phenyl-4-[[4-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-phenyl-4-[[4-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C23H29N5O2S2+2 MolecularWeight: 471.63866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N5O2S2/c29-32(30,28-10-4-5-11-28)21-8-9-22(24-16-21)27-14-12-26(13-15-27)17-20-18-31-23(25-20)19-6-2-1-3-7-19/h1-3,6-9,16,18H,4-5,10-15,17H2/p+2