2-[4-[6-azanyl-1-(2,2-dimethylpropanoyl)pyridin-1-ium-2-yl]naphthalen-1-yl]ethanenitrile

Systemtic Name: 2-[4-[6-azanyl-1-(2,2-dimethylpropanoyl)pyridin-1-ium-2-yl]naphthalen-1-yl]ethanenitrile Openeye Name: 2-[4-[6-amino-1-(2,2-dimethylpropanoyl)pyridin-1-ium-2-yl]-1-naphthyl]acetonitrile CAS Name: 2-[4-[6-amino-1-(2,2-dimethyl-1-oxopropyl)-2-pyridin-1-iumyl]-1-naphthalenyl]acetonitrile IUPAC Name: 2-[4-[6-amino-1-(2,2-dimethylpropanoyl)pyridin-1-ium-2-yl]naphthalen-1-yl]acetonitrile Traditional Name: 2-[4-(6-amino-1-pivaloyl-pyridin-1-ium-2-yl)-1-naphthyl]acetonitrile Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[N+]1=C(C=CC=C1N)C2=CC=C(C3=CC=CC=C32)CC#N

Isomeric SMILES

CC(C)(C)C(=O)[N+]1=C(C=CC=C1N)C2=CC=C(C3=CC=CC=C32)CC#N

InChI

InChI=1S/C22H21N3O/c1-22(2,3)21(26)25-19(9-6-10-20(25)24)18-12-11-15(13-14-23)16-7-4-5-8-17(16)18/h4-12,24H,13H2,1-3H3/p+1