N-methyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2S)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: N-methyl-2-[(2S)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2S)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H25N5O2/c1-27(15-19-9-10-24-16-26-19)22(29)13-21-23(30)25-11-12-28(21)14-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,16,21H,11-15H2,1H3,(H,25,30)/p+1/t21-/m0/s1