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

Systemtic Name: N-(4-methoxyphenyl)-4-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H27N5O3/c1-33-22-11-9-21(10-12-22)28-25(32)19-5-7-20(8-6-19)27-24(31)18-29-14-16-30(17-15-29)23-4-2-3-13-26-23/h2-13H,14-18H2,1H3,(H,27,31)(H,28,32)/p+1