3-(piperidin-1-ium-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 3-(piperidin-1-ium-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)benzonitrile CAS Name: 3-(1-piperidin-1-iumylmethyl)benzonitrile IUPAC Name: 3-(piperidin-1-ium-1-ylmethyl)benzonitrile Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)benzonitrile Formula: C13H17N2+ MolecularWeight: 201.28748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H16N2/c14-10-12-5-4-6-13(9-12)11-15-7-2-1-3-8-15/h4-6,9H,1-3,7-8,11H2/p+1