N-(phenylmethyl)-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(phenylmethyl)-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-benzyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H27N5O2/c31-24(19-29-14-16-30(17-15-29)23-12-6-7-13-26-23)28-22-11-5-4-10-21(22)25(32)27-18-20-8-2-1-3-9-20/h1-13H,14-19H2,(H,27,32)(H,28,31)/p+1