N-[(1-methylpyrazol-4-yl)methyl]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]oxazole-4-carboxamide Formula: C21H27N6O2+ MolecularWeight: 395.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2/c1-25-13-18(12-23-25)11-22-21(28)19-16-29-20(24-19)15-27-9-7-26(8-10-27)14-17-5-3-2-4-6-17/h2-6,12-13,16H,7-11,14-15H2,1H3,(H,22,28)/p+1