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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-pentan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-methylbutyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-pentan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-methylbutyl]ammonium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-3-4-11(2)15-10-12-5-6-13-14(9-12)17-8-7-16-13/h5-6,9,11,15H,3-4,7-8,10H2,1-2H3/p+1/t11-/m0/s1