5-phenyl-2-piperazin-4-ium-1-yl-pyridine-3-carboxylate

Systemtic Name: 5-phenyl-2-piperazin-4-ium-1-yl-pyridine-3-carboxylate Openeye Name: 5-phenyl-2-piperazin-4-ium-1-yl-pyridine-3-carboxylate CAS Name: 5-phenyl-2-(1-piperazin-4-iumyl)-3-pyridinecarboxylate IUPAC Name: 5-phenyl-2-piperazin-4-ium-1-ylpyridine-3-carboxylate Traditional Name: 5-phenyl-2-piperazin-4-ium-1-yl-nicotinate Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=N2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=N2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H17N3O2/c20-16(21)14-10-13(12-4-2-1-3-5-12)11-18-15(14)19-8-6-17-7-9-19/h1-5,10-11,17H,6-9H2,(H,20,21)