N-[(2S)-1-oxidanylidene-3-phenyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]benzamide CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-oxo-3-phenyl-1-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]ethyl]benzamide Formula: C28H33N4O2+ MolecularWeight: 457.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2/c33-27(24-12-6-2-7-13-24)30-26(22-23-10-4-1-5-11-23)28(34)29-16-17-31-18-20-32(21-19-31)25-14-8-3-9-15-25/h1-15,26H,16-22H2,(H,29,34)(H,30,33)/p+1/t26-/m0/s1