N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-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-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]oxazole-4-carboxamide CAS Name: N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]oxazole-4-carboxamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)CN(C)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1)CN(C)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c1-17-12-19(25-24-17)14-26(2)22(29)20-16-30-21(23-20)15-28-10-8-27(9-11-28)13-18-6-4-3-5-7-18/h3-7,12,16H,8-11,13-15H2,1-2H3,(H,24,25)/p+1