1-[3-(2-methoxy-4-prop-2-enyl-phenoxy)propyl]azepan-1-ium

Systemtic Name: 1-[3-(2-methoxy-4-prop-2-enyl-phenoxy)propyl]azepan-1-ium Openeye Name: 1-[3-(4-allyl-2-methoxy-phenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(4-allyl-2-methoxy-phenoxy)propyl]azepan-1-ium Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO2/c1-3-9-17-10-11-18(19(16-17)21-2)22-15-8-14-20-12-6-4-5-7-13-20/h3,10-11,16H,1,4-9,12-15H2,2H3/p+1