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

Systemtic Name: N-(phenylmethyl)-2-[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-benzyl-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-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(3-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=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)CC4=CSC=C4

InChI

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