2-(4-propan-2-ylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 2-(4-propan-2-ylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-(4-isopropylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-(4-propan-2-yl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-(4-propan-2-ylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-(4-isopropylpiperazin-4-ium-1-yl)benzoate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

InChI

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