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

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]acetamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O2/c1-26-14-16(13-25-26)12-24-21(28)11-20-22(29)23-9-10-27(20)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13-14,20H,9-12,15H2,1H3,(H,23,29)(H,24,28)/p+1/t20-/m1/s1