N-[(1R)-3-oxidanylidene-1-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]ethanamide

Systemtic Name: N-[(1R)-3-oxidanylidene-1-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]ethanamide Openeye Name: N-[(1R)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-1-phenyl-propyl]acetamide CAS Name: N-[(1R)-3-oxo-1-phenyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]acetamide IUPAC Name: N-[(1R)-3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-1-phenylpropyl]acetamide Traditional Name: N-[(1R)-3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-1-phenyl-propyl]acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-18(26)23-21(20-10-6-3-7-11-20)16-22(27)25-14-12-24(13-15-25)17-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,23,26)/p+1/t21-/m1/s1