1-(2-pyridin-2-ylethyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(2-pyridin-2-ylethyl)-1,4-diazepan-4-ium Openeye Name: 1-[2-(2-pyridyl)ethyl]-1,4-diazepan-4-ium CAS Name: 1-[2-(2-pyridinyl)ethyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2-pyridin-2-ylethyl)-1,4-diazepan-4-ium Traditional Name: 1-[2-(2-pyridyl)ethyl]-1,4-diazepan-4-ium Formula: C12H20N3+ MolecularWeight: 206.3073

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CCC2=CC=CC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)CCC2=CC=CC=N2

InChI

InChI=1S/C12H19N3/c1-2-7-14-12(4-1)5-10-15-9-3-6-13-8-11-15/h1-2,4,7,13H,3,5-6,8-11H2/p+1