1-(6-chloranyl-5-methoxy-pyridin-3-yl)azepan-1-ium-1-amine

Systemtic Name: 1-(6-chloranyl-5-methoxy-pyridin-3-yl)azepan-1-ium-1-amine Openeye Name: 1-(6-chloro-5-methoxy-3-pyridyl)azepan-1-ium-1-amine CAS Name: 1-(6-chloro-5-methoxy-3-pyridinyl)-1-azepan-1-iumamine IUPAC Name: 1-(6-chloro-5-methoxypyridin-3-yl)azepan-1-ium-1-amine Traditional Name: [1-(6-chloro-5-methoxy-3-pyridyl)azepan-1-ium-1-yl]amine Formula: C12H19ClN3O+ MolecularWeight: 256.75176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC(=C1)[N+]2(CCCCCC2)N)Cl

Isomeric SMILES

COC1=C(N=CC(=C1)[N+]2(CCCCCC2)N)Cl

InChI

InChI=1S/C12H19ClN3O/c1-17-11-8-10(9-15-12(11)13)16(14)6-4-2-3-5-7-16/h8-9H,2-7,14H2,1H3/q+1