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

Systemtic Name: N-(2-methyl-1-oxidanyl-propan-2-yl)-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-(2-hydroxy-1,1-dimethyl-ethyl)oxazole-4-carboxamide CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)oxazole-4-carboxamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O3/c1-20(2,15-25)22-19(26)17-14-27-18(21-17)13-24-10-8-23(9-11-24)12-16-6-4-3-5-7-16/h3-7,14,25H,8-13,15H2,1-2H3,(H,22,26)/p+1