1-(5-ethynylpyridin-3-yl)azepan-1-ium-1-amine

Systemtic Name: 1-(5-ethynylpyridin-3-yl)azepan-1-ium-1-amine Openeye Name: 1-(5-ethynyl-3-pyridyl)azepan-1-ium-1-amine CAS Name: 1-(5-ethynyl-3-pyridinyl)-1-azepan-1-iumamine IUPAC Name: 1-(5-ethynylpyridin-3-yl)azepan-1-ium-1-amine Traditional Name: [1-(5-ethynyl-3-pyridyl)azepan-1-ium-1-yl]amine Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1)[N+]2(CCCCCC2)N

Isomeric SMILES

C#CC1=CC(=CN=C1)[N+]2(CCCCCC2)N

InChI

InChI=1S/C13H18N3/c1-2-12-9-13(11-15-10-12)16(14)7-5-3-4-6-8-16/h1,9-11H,3-8,14H2/q+1