2-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylate

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C16H19N3O2/c1-2-18-7-9-19(10-8-18)15-13(16(20)21)11-12-5-3-4-6-14(12)17-15/h3-6,11H,2,7-10H2,1H3,(H,20,21)