4-chloranyl-N-[[5-[4-(3,5-dimethoxyphenyl)-1-methanoyl-piperazin-1-ium-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-[4-(3,5-dimethoxyphenyl)-1-methanoyl-piperazin-1-ium-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[4-(3,5-dimethoxyphenyl)-1-formyl-piperazin-1-ium-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[4-(3,5-dimethoxyphenyl)-1-formyl-1-piperazin-1-iumyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[4-(3,5-dimethoxyphenyl)-1-formylpiperazin-1-ium-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[4-(3,5-dimethoxyphenyl)-1-formyl-piperazin-1-ium-1-yl]sulfonyl-2-thienyl]methyl]benzamide Formula: C25H27ClN3O6S2+ MolecularWeight: 565.08138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CC[N+](CC2)(C=O)S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CC[N+](CC2)(C=O)S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C25H26ClN3O6S2/c1-34-21-13-20(14-22(15-21)35-2)28-9-11-29(17-30,12-10-28)37(32,33)24-8-7-23(36-24)16-27-25(31)18-3-5-19(26)6-4-18/h3-8,13-15,17H,9-12,16H2,1-2H3/p+1