N-methyl-N-(phenylmethyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N-methyl-N-(phenylmethyl)-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N-benzyl-N-methyl-4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-sulfonamide CAS Name: N-methyl-N-(phenylmethyl)-4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N-benzyl-N-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N-benzyl-N-methyl-4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-sulfonamide Formula: C20H25N4O2S3+ MolecularWeight: 449.6331

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H24N4O2S3/c1-22(13-17-5-3-2-4-6-17)29(25,26)24-10-8-23(9-11-24)14-19-16-28-20(21-19)18-7-12-27-15-18/h2-7,12,15-16H,8-11,13-14H2,1H3/p+1