3-(4-prop-2-enylpiperazin-4-ium-1-yl)carbonylbenzoate

Systemtic Name: 3-(4-prop-2-enylpiperazin-4-ium-1-yl)carbonylbenzoate Openeye Name: 3-(4-allylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 3-[oxo-(4-prop-2-enyl-1-piperazin-4-iumyl)methyl]benzoate IUPAC Name: 3-(4-prop-2-enylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 3-(4-allylpiperazin-4-ium-1-carbonyl)benzoate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-2-6-16-7-9-17(10-8-16)14(18)12-4-3-5-13(11-12)15(19)20/h2-5,11H,1,6-10H2,(H,19,20)