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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NN1)CN(C)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

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