1-[4-(2-prop-2-enylphenoxy)butyl]azepan-1-ium

Systemtic Name: 1-[4-(2-prop-2-enylphenoxy)butyl]azepan-1-ium Openeye Name: 1-[4-(2-allylphenoxy)butyl]azepan-1-ium CAS Name: 1-[4-(2-prop-2-enylphenoxy)butyl]azepan-1-ium IUPAC Name: 1-[4-(2-prop-2-enylphenoxy)butyl]azepan-1-ium Traditional Name: 1-[4-(2-allylphenoxy)butyl]azepan-1-ium Formula: C19H30NO+ MolecularWeight: 288.4476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCCC[NH+]2CCCCCC2

Isomeric SMILES

C=CCC1=CC=CC=C1OCCCC[NH+]2CCCCCC2

InChI

InChI=1S/C19H29NO/c1-2-11-18-12-5-6-13-19(18)21-17-10-9-16-20-14-7-3-4-8-15-20/h2,5-6,12-13H,1,3-4,7-11,14-17H2/p+1