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

Systemtic Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzonitrile CAS Name: 3-(1-pyrrolidin-1-iumylmethyl)benzonitrile IUPAC Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzonitrile Traditional Name: 3-(pyrrolidin-1-ium-1-ylmethyl)benzonitrile Formula: C12H15N2+ MolecularWeight: 187.2609

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H14N2/c13-9-11-4-3-5-12(8-11)10-14-6-1-2-7-14/h3-5,8H,1-2,6-7,10H2/p+1