2-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[(2S)-2-(4-pyridin-1-iumyl)-1-pyrrolidinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2S)-2-pyridin-1-ium-4-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[(2S)-2-pyridin-1-ium-4-ylpyrrolidino]nicotinic acid Formula: C15H16N3O2+ MolecularWeight: 270.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=CC=N2)C(=O)O)C3=CC=[NH+]C=C3

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C=CC=N2)C(=O)O)C3=CC=[NH+]C=C3

InChI

InChI=1S/C15H15N3O2/c19-15(20)12-3-1-7-17-14(12)18-10-2-4-13(18)11-5-8-16-9-6-11/h1,3,5-9,13H,2,4,10H2,(H,19,20)/p+1/t13-/m0/s1