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

Systemtic Name: 4-chloranyl-N-[[5-[4-(4-dimethylaminophenyl)-1-methanoyl-piperazin-1-ium-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[4-(4-dimethylaminophenyl)-1-formyl-piperazin-1-ium-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[4-(4-dimethylaminophenyl)-1-formyl-1-piperazin-1-iumyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[4-(4-dimethylaminophenyl)-1-formylpiperazin-1-ium-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[4-(4-dimethylaminophenyl)-1-formyl-piperazin-1-ium-1-yl]sulfonyl-2-thienyl]methyl]benzamide Formula: C25H28ClN4O4S2+ MolecularWeight: 548.09722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O4S2/c1-28(2)21-7-9-22(10-8-21)29-13-15-30(18-31,16-14-29)36(33,34)24-12-11-23(35-24)17-27-25(32)19-3-5-20(26)6-4-19/h3-12,18H,13-17H2,1-2H3/p+1