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

Systemtic Name: 1-(6-chloranyl-5-methyl-pyridin-3-yl)azepan-1-ium-1-amine Openeye Name: 1-(6-chloro-5-methyl-3-pyridyl)azepan-1-ium-1-amine CAS Name: 1-(6-chloro-5-methyl-3-pyridinyl)-1-azepan-1-iumamine IUPAC Name: 1-(6-chloro-5-methylpyridin-3-yl)azepan-1-ium-1-amine Traditional Name: [1-(6-chloro-5-methyl-3-pyridyl)azepan-1-ium-1-yl]amine Formula: C12H19ClN3+ MolecularWeight: 240.75236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1Cl)[N+]2(CCCCCC2)N

Isomeric SMILES

CC1=CC(=CN=C1Cl)[N+]2(CCCCCC2)N

InChI

InChI=1S/C12H19ClN3/c1-10-8-11(9-15-12(10)13)16(14)6-4-2-3-5-7-16/h8-9H,2-7,14H2,1H3/q+1