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

Systemtic Name: N-(phenylmethyl)-2-[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-benzyl-2-[[2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H28N4O2S/c30-24(19-29-14-12-28(13-15-29)18-21-9-6-16-32-21)27-23-11-5-4-10-22(23)25(31)26-17-20-7-2-1-3-8-20/h1-11,16H,12-15,17-19H2,(H,26,31)(H,27,30)/p+1