1-[3,5-bis(chloranyl)pyridin-4-yl]-1,4-diazepan-4-ium

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-4-yl]-1,4-diazepan-4-ium Openeye Name: 1-(3,5-dichloro-4-pyridyl)-1,4-diazepan-4-ium CAS Name: 1-(3,5-dichloro-4-pyridinyl)-1,4-diazepan-4-ium IUPAC Name: 1-(3,5-dichloropyridin-4-yl)-1,4-diazepan-4-ium Traditional Name: 1-(3,5-dichloro-4-pyridyl)-1,4-diazepan-4-ium Formula: C10H14Cl2N3+ MolecularWeight: 247.14426

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C(C=NC=C2Cl)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=NC=C2Cl)Cl

InChI

InChI=1S/C10H13Cl2N3/c11-8-6-14-7-9(12)10(8)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2/p+1