4-[[(3-cyano-5-phenyl-pyridin-1-ium-2-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(3-cyano-5-phenyl-pyridin-1-ium-2-yl)amino]methyl]benzoate Openeye Name: 4-[[(3-cyano-5-phenyl-pyridin-1-ium-2-yl)amino]methyl]benzoate CAS Name: 4-[[(3-cyano-5-phenyl-2-pyridin-1-iumyl)amino]methyl]benzoate IUPAC Name: 4-[[(3-cyano-5-phenylpyridin-1-ium-2-yl)amino]methyl]benzoate Traditional Name: 4-[[(3-cyano-5-phenyl-pyridin-1-ium-2-yl)amino]methyl]benzoate Formula: C20H15N3O2 MolecularWeight: 329.352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[NH+]=C(C(=C2)C#N)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[NH+]=C(C(=C2)C#N)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H15N3O2/c21-11-17-10-18(15-4-2-1-3-5-15)13-23-19(17)22-12-14-6-8-16(9-7-14)20(24)25/h1-10,13H,12H2,(H,22,23)(H,24,25)