N-phenyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-phenyl-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-phenyl-2-[[2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-N-phenylbenzamide IUPAC Name: N-phenyl-2-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-phenyl-2-[[2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C24H26N4O2S/c29-23(17-28-13-11-27(12-14-28)16-19-10-15-31-18-19)26-22-9-5-4-8-21(22)24(30)25-20-6-2-1-3-7-20/h1-10,15,18H,11-14,16-17H2,(H,25,30)(H,26,29)/p+1