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

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O/c1-25(16-19-15-24-28(17-19)20-7-3-2-4-8-20)22(29)18-26-11-13-27(14-12-26)21-9-5-6-10-23-21/h2-10,15,17H,11-14,16,18H2,1H3/p+1