N-(2,2-dimethyl-3-oxidanyl-propyl)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-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-(3-hydroxy-2,2-dimethyl-propyl)oxazole-4-carboxamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-hydroxy-2,2-dimethyl-propyl)oxazole-4-carboxamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)CC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)(CNC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H30N4O3/c1-21(2,16-26)15-22-20(27)18-14-28-19(23-18)13-25-10-8-24(9-11-25)12-17-6-4-3-5-7-17/h3-7,14,26H,8-13,15-16H2,1-2H3,(H,22,27)/p+1