2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-[[4-(1-pyrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-(4-pyrazol-1-ylbenzyl)acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CC=C(C=C2)N3C=CC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c30-23(26-18-20-7-9-21(10-8-20)29-14-4-12-27-29)17-22-24(31)25-13-16-28(22)15-11-19-5-2-1-3-6-19/h1-10,12,14,22H,11,13,15-18H2,(H,25,31)(H,26,30)/p+1/t22-/m1/s1