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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]oxazole-4-carboxamide CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]oxazole-4-carboxamide Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](CCN1C=CC=N1)NC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O2/c1-19(8-11-29-10-5-9-24-29)25-23(30)21-18-31-22(26-21)17-28-14-12-27(13-15-28)16-20-6-3-2-4-7-20/h2-7,9-10,18-19H,8,11-17H2,1H3,(H,25,30)/p+1/t19-/m1/s1