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

Systemtic Name: N-methyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(3-pyridylmethyl)oxazole-4-carboxamide CAS Name: N-methyl-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(3-pyridylmethyl)oxazole-4-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c1-26(15-20-8-5-9-24-14-20)23(29)21-18-30-22(25-21)17-28-12-10-27(11-13-28)16-19-6-3-2-4-7-19/h2-9,14,18H,10-13,15-17H2,1H3/p+1