1-pyridin-2-yl-1,4-diazepan-4-ium

Systemtic Name: 1-pyridin-2-yl-1,4-diazepan-4-ium Openeye Name: 1-(2-pyridyl)-1,4-diazepan-4-ium CAS Name: 1-(2-pyridinyl)-1,4-diazepan-4-ium IUPAC Name: 1-pyridin-2-yl-1,4-diazepan-4-ium Traditional Name: 1-(2-pyridyl)-1,4-diazepan-4-ium Formula: C10H16N3+ MolecularWeight: 178.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=CC=CC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC=CC=N2

InChI

InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2/p+1