N,N-dimethyl-4-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide

Systemtic Name: N,N-dimethyl-4-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N,N-dimethyl-4-[[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N,N-dimethyl-4-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: N,N-dimethyl-4-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N,N-dimethyl-4-[[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C20H28N4O2S+2 MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H26N4O2S/c1-22(2)20(26)16-5-7-17(8-6-16)21-19(25)15-24-11-9-23(10-12-24)14-18-4-3-13-27-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,21,25)/p+2