N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide

Systemtic Name: N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]-N-(3-pyridylmethyl)oxamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C(=O)NCC2=CN=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C(=O)NCC2=CN=CC=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2/c32-24(28-17-20-6-4-10-26-16-20)25(33)29-19-23(21-7-5-11-27-18-21)31-14-12-30(13-15-31)22-8-2-1-3-9-22/h1-11,16,18,23H,12-15,17,19H2,(H,28,32)(H,29,33)/p+1/t23-/m1/s1