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

Systemtic Name: N-[(1S)-1-phenylethyl]-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-[(1S)-1-phenylethyl]-2-[[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-N-[(1S)-1-phenylethyl]benzamide IUPAC Name: N-[(1S)-1-phenylethyl]-2-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-[(1S)-1-phenylethyl]-2-[[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C27H32N5O2+ MolecularWeight: 458.57528

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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)CC4=CC=CC=N4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H31N5O2/c1-21(22-9-3-2-4-10-22)29-27(34)24-12-5-6-13-25(24)30-26(33)20-32-17-15-31(16-18-32)19-23-11-7-8-14-28-23/h2-14,21H,15-20H2,1H3,(H,29,34)(H,30,33)/p+1/t21-/m0/s1