3-[(4-hydroxyiminopiperidin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-hydroxyiminopiperidin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-hydroxyiminopiperidin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(4-hydroxyimino-1-piperidin-1-iumyl)methyl]benzonitrile IUPAC Name: 3-[(4-hydroxyiminopiperidin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-hydroximinopiperidin-1-ium-1-yl)methyl]benzonitrile Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NO)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1C[NH+](CCC1=NO)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H15N3O/c14-9-11-2-1-3-12(8-11)10-16-6-4-13(15-17)5-7-16/h1-3,8,17H,4-7,10H2/p+1