N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1,5-dimethyl-3-pyrazolyl)methyl]-2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[(2R)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NN1C)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H27N5O2/c1-16-12-19(26-27(16)2)14-25-22(29)13-21-23(30)24-10-11-28(21)15-18-8-5-7-17-6-3-4-9-20(17)18/h3-9,12,21H,10-11,13-15H2,1-2H3,(H,24,30)(H,25,29)/p+1/t21-/m1/s1