N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N7O/c1-25(15-18-14-24-28(16-18)19-6-3-2-4-7-19)20(29)17-26-10-12-27(13-11-26)21-22-8-5-9-23-21/h2-9,14,16H,10-13,15,17H2,1H3/p+1