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

Systemtic Name: N-(oxan-4-ylmethyl)-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-(tetrahydropyran-4-ylmethyl)oxazole-4-carboxamide CAS Name: N-(4-oxanylmethyl)-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(oxan-4-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(tetrahydropyran-4-ylmethyl)oxazole-4-carboxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O3/c27-22(23-14-18-6-12-28-13-7-18)20-17-29-21(24-20)16-26-10-8-25(9-11-26)15-19-4-2-1-3-5-19/h1-5,17-18H,6-16H2,(H,23,27)/p+1