1-[3-(4-ethylphenoxy)propyl]azepan-1-ium

Systemtic Name: 1-[3-(4-ethylphenoxy)propyl]azepan-1-ium Openeye Name: 1-[3-(4-ethylphenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(4-ethylphenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(4-ethylphenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(4-ethylphenoxy)propyl]azepan-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO/c1-2-16-8-10-17(11-9-16)19-15-7-14-18-12-5-3-4-6-13-18/h8-11H,2-7,12-15H2,1H3/p+1