3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pentan-3-ylazanium

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pentan-3-ylazanium Openeye Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-propyl]ammonium CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pentan-3-ylammonium IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pentan-3-ylazanium Traditional Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-propyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=CC2=C(C=C1)OCCO2)[NH3+]

Isomeric SMILES

CCC(CC)(CC1=CC2=C(C=C1)OCCO2)[NH3+]

InChI

InChI=1S/C14H21NO2/c1-3-14(15,4-2)10-11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9H,3-4,7-8,10,15H2,1-2H3/p+1