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1-(pyridin-3-ylmethyl)azepan-1-ium

1-(pyridin-3-ylmethyl)azepan-1-ium

Systemtic Name:1-(pyridin-3-ylmethyl)azepan-1-ium
Openeye Name:1-(3-pyridylmethyl)azepan-1-ium
CAS Name:1-(3-pyridinylmethyl)azepan-1-ium
IUPAC Name:1-(pyridin-3-ylmethyl)azepan-1-ium
Traditional Name:1-(3-pyridylmethyl)azepan-1-ium
Formula: C12H19N2+
MolecularWeight: 191.29266
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CN=CC=C2


Isomeric SMILES

C1CCC[NH+](CC1)CC2=CN=CC=C2


InChI

InChI=1S/C12H18N2/c1-2-4-9-14(8-3-1)11-12-6-5-7-13-10-12/h5-7,10H,1-4,8-9,11H2/p+1


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