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

Systemtic Name: N-[(1S)-1-phenylethyl]-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-[(1S)-1-phenylethyl]-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-[(1S)-1-phenylethyl]benzamide IUPAC Name: N-[(1S)-1-phenylethyl]-2-[[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-[(1S)-1-phenylethyl]-2-[[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H29N5O2/c1-20(21-9-3-2-4-10-21)28-26(33)22-11-5-6-12-23(22)29-25(32)19-30-15-17-31(18-16-30)24-13-7-8-14-27-24/h2-14,20H,15-19H2,1H3,(H,28,33)(H,29,32)/p+1/t20-/m0/s1