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

Systemtic Name: [(2S)-butan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium IUPAC Name: [(2S)-butan-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-1-methylpropyl]ammonium Formula: C13H20NO2+ MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-10(2)14-9-11-4-5-12-13(8-11)16-7-6-15-12/h4-5,8,10,14H,3,6-7,9H2,1-2H3/p+1/t10-/m0/s1