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

Systemtic Name: 6-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 6-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 6-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 6-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [6-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C14H22N3+ MolecularWeight: 232.34458

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CCC2CCCCN=C2N

Isomeric SMILES

C[N+]1=CC=CC=C1CCC2CCCCN=C2N

InChI

InChI=1S/C14H22N3/c1-17-11-5-3-7-13(17)9-8-12-6-2-4-10-16-14(12)15/h3,5,7,11-12H,2,4,6,8-10H2,1H3,(H2,15,16)/q+1