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

Systemtic Name: 1-(5-ethynylpyridin-3-yl)-N-methyl-azepan-1-ium-1-amine Openeye Name: 1-(5-ethynyl-3-pyridyl)-N-methyl-azepan-1-ium-1-amine CAS Name: 1-(5-ethynyl-3-pyridinyl)-N-methyl-1-azepan-1-iumamine IUPAC Name: 1-(5-ethynylpyridin-3-yl)-N-methylazepan-1-ium-1-amine Traditional Name: [1-(5-ethynyl-3-pyridyl)azepan-1-ium-1-yl]-methyl-amine Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(CCCCCC1)C2=CN=CC(=C2)C#C

Isomeric SMILES

CN[N+]1(CCCCCC1)C2=CN=CC(=C2)C#C

InChI

InChI=1S/C14H20N3/c1-3-13-10-14(12-16-11-13)17(15-2)8-6-4-5-7-9-17/h1,10-12,15H,4-9H2,2H3/q+1