5-azanyl-2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzoate

Systemtic Name: 5-azanyl-2-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzoate Openeye Name: 5-amino-2-(4-ethylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 5-amino-2-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzoate IUPAC Name: 5-amino-2-(4-ethylpiperazin-4-ium-1-carbonyl)benzoate Traditional Name: 5-amino-2-(4-ethylpiperazin-4-ium-1-carbonyl)benzoate Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-2-16-5-7-17(8-6-16)13(18)11-4-3-10(15)9-12(11)14(19)20/h3-4,9H,2,5-8,15H2,1H3,(H,19,20)