1-[(6-chloranylpyrimidin-4-yl)methyl]azepan-1-ium

Systemtic Name: 1-[(6-chloranylpyrimidin-4-yl)methyl]azepan-1-ium Openeye Name: 1-[(6-chloropyrimidin-4-yl)methyl]azepan-1-ium CAS Name: 1-[(6-chloro-4-pyrimidinyl)methyl]azepan-1-ium IUPAC Name: 1-[(6-chloropyrimidin-4-yl)methyl]azepan-1-ium Traditional Name: 1-[(6-chloropyrimidin-4-yl)methyl]azepan-1-ium Formula: C11H17ClN3+ MolecularWeight: 226.72578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=NC=N2)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=NC=N2)Cl

InChI

InChI=1S/C11H16ClN3/c12-11-7-10(13-9-14-11)8-15-5-3-1-2-4-6-15/h7,9H,1-6,8H2/p+1