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

Systemtic Name: N-methyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(pyrimidin-4-ylmethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(pyrimidin-4-ylmethyl)oxazole-4-carboxamide CAS Name: N-methyl-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-(4-pyrimidinylmethyl)-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(pyrimidin-4-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(4-pyrimidylmethyl)oxazole-4-carboxamide Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-26(14-19-7-8-23-17-24-19)22(29)20-16-30-21(25-20)15-28-11-9-27(10-12-28)13-18-5-3-2-4-6-18/h2-8,16-17H,9-15H2,1H3/p+1