1-[3-(2-prop-2-enylphenoxy)propyl]azepan-1-ium

Systemtic Name: 1-[3-(2-prop-2-enylphenoxy)propyl]azepan-1-ium Openeye Name: 1-[3-(2-allylphenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(2-prop-2-enylphenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(2-prop-2-enylphenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(2-allylphenoxy)propyl]azepan-1-ium Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCC[NH+]2CCCCCC2

Isomeric SMILES

C=CCC1=CC=CC=C1OCCC[NH+]2CCCCCC2

InChI

InChI=1S/C18H27NO/c1-2-10-17-11-5-6-12-18(17)20-16-9-15-19-13-7-3-4-8-14-19/h2,5-6,11-12H,1,3-4,7-10,13-16H2/p+1