2-(azepan-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(azepan-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-(azepan-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 2-(1-azepanyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(azepan-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(azepan-1-yl)pyridin-1-ium-3-carbonitrile Formula: C12H16N3+ MolecularWeight: 202.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C#N

InChI

InChI=1S/C12H15N3/c13-10-11-6-5-7-14-12(11)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2/p+1