2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-heptan-4-yl-azanium

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-heptan-4-yl-azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(1-propylbutyl)ammonium CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-heptan-4-ylammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-heptan-4-ylazanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(1-propylbutyl)ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CCC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCC(CCC)[NH2+]CCC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H27NO2/c1-3-5-15(6-4-2)18-10-9-14-7-8-16-17(13-14)20-12-11-19-16/h7-8,13,15,18H,3-6,9-12H2,1-2H3/p+1