1-(1,3-benzodioxol-5-ylmethyl)azepan-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)azepan-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)azepan-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)azepan-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)azepan-1-ium Traditional Name: 1-piperonylazepan-1-ium Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H19NO2/c1-2-4-8-15(7-3-1)10-12-5-6-13-14(9-12)17-11-16-13/h5-6,9H,1-4,7-8,10-11H2/p+1