2,2-dimethyl-3-(4-phenylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-ium-1-yl)propanoate Openeye Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-ium-1-yl)propanoate CAS Name: 2,2-dimethyl-3-(4-phenyl-1-piperazin-1-iumyl)propanoate IUPAC Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2,2-dimethyl-3-(4-phenylpiperazin-1-ium-1-yl)propionate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-15(2,14(18)19)12-16-8-10-17(11-9-16)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,18,19)