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

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)benzenecarbonitrile Openeye Name: 3-(azepan-1-ium-1-ylmethyl)benzonitrile CAS Name: 3-(1-azepan-1-iumylmethyl)benzonitrile IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)benzonitrile Traditional Name: 3-(azepan-1-ium-1-ylmethyl)benzonitrile Formula: C14H19N2+ MolecularWeight: 215.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H18N2/c15-11-13-6-5-7-14(10-13)12-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,12H2/p+1