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

Systemtic Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbonitrile Openeye Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzonitrile CAS Name: 4-(1-pyrrolidin-1-iumylmethyl)benzonitrile IUPAC Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzonitrile Traditional Name: 4-(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

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