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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO2/c1-3-4-5-6-7-14(2)18-13-15-8-9-16-17(12-15)20-11-10-19-16/h8-9,12,14,18H,3-7,10-11,13H2,1-2H3/p+1/t14-/m0/s1