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

Systemtic Name: 1-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium Openeye Name: 1-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium CAS Name: 1-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium IUPAC Name: 1-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium Traditional Name: 1-[2-(4-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=NC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)CCC2=CC=NC=C2

InChI

InChI=1S/C12H19N3/c1-5-13-8-11-15(9-1)10-4-12-2-6-14-7-3-12/h2-3,6-7,13H,1,4-5,8-11H2/p+1