2-piperazin-4-ium-1-ylquinoline-4-carboxylate

Systemtic Name: 2-piperazin-4-ium-1-ylquinoline-4-carboxylate Openeye Name: 2-piperazin-4-ium-1-ylquinoline-4-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-4-quinolinecarboxylate IUPAC Name: 2-piperazin-4-ium-1-ylquinoline-4-carboxylate Traditional Name: 2-piperazin-4-ium-1-ylcinchoninate Formula: C14H15N3O2 MolecularWeight: 257.2878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O2/c18-14(19)11-9-13(17-7-5-15-6-8-17)16-12-4-2-1-3-10(11)12/h1-4,9,15H,5-8H2,(H,18,19)