2-methyl-2-(4-phenylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: 2-methyl-2-(4-phenylpiperazin-1-ium-1-yl)propanoate Openeye Name: 2-methyl-2-(4-phenylpiperazin-1-ium-1-yl)propanoate CAS Name: 2-methyl-2-(4-phenyl-1-piperazin-1-iumyl)propanoate IUPAC Name: 2-methyl-2-(4-phenylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2-methyl-2-(4-phenylpiperazin-1-ium-1-yl)propionate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-14(2,13(17)18)16-10-8-15(9-11-16)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,17,18)