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1-[3-(2-chloranyl-4,6-dimethyl-phenoxy)propyl]azepan-1-ium

1-[3-(2-chloranyl-4,6-dimethyl-phenoxy)propyl]azepan-1-ium

Systemtic Name:1-[3-(2-chloranyl-4,6-dimethyl-phenoxy)propyl]azepan-1-ium
Openeye Name:1-[3-(2-chloro-4,6-dimethyl-phenoxy)propyl]azepan-1-ium
CAS Name:1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]azepan-1-ium
IUPAC Name:1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]azepan-1-ium
Traditional Name:1-[3-(2-chloro-4,6-dimethyl-phenoxy)propyl]azepan-1-ium
Formula: C17H27ClNO+
MolecularWeight: 296.85538
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCC[NH+]2CCCCCC2)C


Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCC[NH+]2CCCCCC2)C


InChI

InChI=1S/C17H26ClNO/c1-14-12-15(2)17(16(18)13-14)20-11-7-10-19-8-5-3-4-6-9-19/h12-13H,3-11H2,1-2H3/p+1


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