2-phenyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-phenyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-phenyl-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-phenyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-phenyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-phenyl-4-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C18H20N3O2S3+ MolecularWeight: 406.5653

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O2S3/c22-26(23,17-7-4-12-24-17)21-10-8-20(9-11-21)13-16-14-25-18(19-16)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2/p+1