2-[4-(2,2-dimethylpropanoyl)-1-oxidanidyl-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[4-(2,2-dimethylpropanoyl)-1-oxidanidyl-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[3-benzyl-4-(2,2-dimethylpropanoyl)-1-oxido-piperazin-1-ium-1-yl]hexanoic acid CAS Name: 2-[4-(2,2-dimethyl-1-oxopropyl)-1-oxido-3-(phenylmethyl)-1-piperazin-1-iumyl]hexanoic acid IUPAC Name: 2-[3-benzyl-4-(2,2-dimethylpropanoyl)-1-oxidopiperazin-1-ium-1-yl]hexanoic acid Traditional Name: 2-(3-benzyl-1-oxido-4-pivaloyl-piperazin-1-ium-1-yl)hexanoic acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCN(C(C1)CC2=CC=CC=C2)C(=O)C(C)(C)C)[O-]

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCN(C(C1)CC2=CC=CC=C2)C(=O)C(C)(C)C)[O-]

InChI

InChI=1S/C22H34N2O4/c1-5-6-12-19(20(25)26)24(28)14-13-23(21(27)22(2,3)4)18(16-24)15-17-10-8-7-9-11-17/h7-11,18-19H,5-6,12-16H2,1-4H3,(H,25,26)