(2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C21H28N4O2+2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-22-21(27)23-20(26)19(18-10-6-3-7-11-18)25-14-12-24(13-15-25)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H2,22,23,26,27)/p+2/t19-/m0/s1