N-cyclopentyl-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-cyclopentyl-2-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-cyclopentyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopentyl-2-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopentyl-2-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H28N4O3S/c28-21(16-26-11-13-27(14-12-26)23(30)20-10-5-15-31-20)25-19-9-4-3-8-18(19)22(29)24-17-6-1-2-7-17/h3-5,8-10,15,17H,1-2,6-7,11-14,16H2,(H,24,29)(H,25,28)/p+1