2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(4-methylphenyl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-p-toluoylpiperazin-1-ium-1-yl)acetate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)[O-]

InChI

InChI=1S/C14H18N2O3/c1-11-2-4-12(5-3-11)14(19)16-8-6-15(7-9-16)10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)