1-[(2-prop-2-enoxyphenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(2-prop-2-enoxyphenyl)methyl]azepan-1-ium Openeye Name: 1-[(2-allyloxyphenyl)methyl]azepan-1-ium CAS Name: 1-[(2-prop-2-enoxyphenyl)methyl]azepan-1-ium IUPAC Name: 1-[(2-prop-2-enoxyphenyl)methyl]azepan-1-ium Traditional Name: 1-(2-allyloxybenzyl)azepan-1-ium Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCCCCC2

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCCCCC2

InChI

InChI=1S/C16H23NO/c1-2-13-18-16-10-6-5-9-15(16)14-17-11-7-3-4-8-12-17/h2,5-6,9-10H,1,3-4,7-8,11-14H2/p+1