N-methyl-1-pyridin-3-yl-azepan-1-ium-1-amine

Systemtic Name: N-methyl-1-pyridin-3-yl-azepan-1-ium-1-amine Openeye Name: N-methyl-1-(3-pyridyl)azepan-1-ium-1-amine CAS Name: N-methyl-1-(3-pyridinyl)-1-azepan-1-iumamine IUPAC Name: N-methyl-1-pyridin-3-ylazepan-1-ium-1-amine Traditional Name: methyl-[1-(3-pyridyl)azepan-1-ium-1-yl]amine Formula: C12H20N3+ MolecularWeight: 206.3073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N3/c1-13-15(9-4-2-3-5-10-15)12-7-6-8-14-11-12/h6-8,11,13H,2-5,9-10H2,1H3/q+1