2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride

Systemtic Name: 2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride Openeye Name: 2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride CAS Name: 2-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride IUPAC Name: 2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride Traditional Name: [2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine chloride Formula: C14H22ClN3 MolecularWeight: 267.79758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCC2CCCCC(=N2)N.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1CCC2CCCCC(=N2)N.[Cl-]

InChI

InChI=1S/C14H22N3.ClH/c1-17-11-5-4-7-13(17)10-9-12-6-2-3-8-14(15)16-12;/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H2,15,16);1H/q+1;/p-1