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

Systemtic Name: 1-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(4-allyl-2-methoxy-phenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(4-allyl-2-methoxy-phenoxy)ethyl]azepan-1-ium Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC[NH+]2CCCCCC2

InChI

InChI=1S/C18H27NO2/c1-3-8-16-9-10-17(18(15-16)20-2)21-14-13-19-11-6-4-5-7-12-19/h3,9-10,15H,1,4-8,11-14H2,2H3/p+1