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

Systemtic Name: 1-pyridin-1-ium-4-yl-1,4-diazepan-4-ium Openeye Name: 1-pyridin-1-ium-4-yl-1,4-diazepan-4-ium CAS Name: 1-(4-pyridin-1-iumyl)-1,4-diazepan-4-ium IUPAC Name: 1-pyridin-1-ium-4-yl-1,4-diazepan-4-ium Traditional Name: 1-pyridin-1-ium-4-yl-1,4-diazepan-4-ium Formula: C10H17N3+2 MolecularWeight: 179.26208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5-6,11H,1,4,7-9H2/p+2