1-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(4-chloranyl-2-prop-2-enyl-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(2-allyl-4-chloro-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(2-allyl-4-chloro-phenoxy)ethyl]azepan-1-ium Formula: C17H25ClNO+ MolecularWeight: 294.8395

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)Cl)OCC[NH+]2CCCCCC2

Isomeric SMILES

C=CCC1=C(C=CC(=C1)Cl)OCC[NH+]2CCCCCC2

InChI

InChI=1S/C17H24ClNO/c1-2-7-15-14-16(18)8-9-17(15)20-13-12-19-10-5-3-4-6-11-19/h2,8-9,14H,1,3-7,10-13H2/p+1