2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-2-ethylhexyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-2-ethylhexyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-2-ethylhexyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-2-ethylhexyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C17H27NO2/c1-3-5-6-14(4-2)12-18-13-15-7-8-16-17(11-15)20-10-9-19-16/h7-8,11,14,18H,3-6,9-10,12-13H2,1-2H3/p+1/t14-/m0/s1