[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl] 2-azanylbenzoate

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl] 2-azanylbenzoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid [2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl] 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2N

InChI

InChI=1S/C14H19N3O3/c1-16-6-8-17(9-7-16)13(18)10-20-14(19)11-4-2-3-5-12(11)15/h2-5H,6-10,15H2,1H3/p+1