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

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

Systemtic Name:1-pyrimidin-2-yl-1,4-diazepan-4-ium
Openeye Name:1-pyrimidin-2-yl-1,4-diazepan-4-ium
CAS Name:1-(2-pyrimidinyl)-1,4-diazepan-4-ium
IUPAC Name:1-pyrimidin-2-yl-1,4-diazepan-4-ium
Traditional Name:1-(2-pyrimidyl)-1,4-diazepan-4-ium
Formula: C9H15N4+
MolecularWeight: 179.2422
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-2-3-10-6-8-13/h1,4-5,10H,2-3,6-8H2/p+1


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