2,2-dimethyl-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 2,2-dimethyl-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-2,2-dimethyl-propanoate CAS Name: 2,2-dimethyl-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-2,2-dimethylpropanoate Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-2,2-dimethyl-propionate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H24N2O2/c1-16(2,15(19)20)13-18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,20)