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

Systemtic Name: 4-(4-propan-2-ylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 4-(4-isopropylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 4-[oxo-(4-propan-2-yl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 4-(4-propan-2-ylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 4-(4-isopropylpiperazin-4-ium-1-carbonyl)benzoate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-11(2)16-7-9-17(10-8-16)14(18)12-3-5-13(6-4-12)15(19)20/h3-6,11H,7-10H2,1-2H3,(H,19,20)